| 2D Structure | |
| CID | 31426 |
| Target | ACHE , AHR , AR , CASP3 , CASP7 , CYP1A2 , CYP3A4 , ESR1 , ESRRA , JUN , NFE2L2 , NR1I2 , NR1I3 |
| IUPAC Name | 2-methyl-1-nitroanthracene-9,10-dione |
| InChI | InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3 |
| InChI Key | FYXKXZFTZBYYNP-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] |
| Isomeric SMILES | CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] |
| Molecular Formula | C15H9NO4 |
| Molecular Weight | 267.24 |
| synonyms | ['2-METHYL-1-NITROANTHRAQUINONE', '129-15-7', '1-Nitro-2-methylanthraquinone', '9,10-Anthracenedione, 2-methyl-1-nitro-', 'Violet Cibacet 2R', 'Anthraquinone, 2-methyl-1-nitro-', 'NCI-C01923', 'NSC 8', '1-N-2-Ma', '1-N-2-MA [Russian]', '2-Methyl-1-nitro-9,10-anthracenedione', 'CCRIS 397', 'HSDB 6193', 'EINECS 204-932-0', 'NSC-8', 'UNII-XU83BY176P', 'BRN 2140943', 'XU83BY176P', 'DTXSID7020847', 'AI3-14928', '1-nitro-2-methyl-9,10-anthraquinone', 'DTXCID70847', '4-07-00-02576 (Beilstein Handbook Reference)', '2-METHYL-1-NITROANTHRAQUINONE [HSDB]', '1-N-2-MA (RUSSIAN)', '1Nitro2methylanthraquinone', '1N2MA', 'Anthraquinone, 2methyl1nitro', '2Methyl1nitro9,10anthracenedione', '9,10Anthracenedione, 2methyl1nitro', '204-932-0', 'fyxkxzftzbyynp-uhfffaoysa-n', '2-methyl-1-nitroanthracene-9,10-dione', '2-methyl-1-nitro-9,10-anthraquinone', 'CHEBI:82345', '2-METHYL-1-NITRO-9,10-DIHYDROANTHRACENE-9,10-DIONE', '2-Methyl-1-nitroanthraquinone (of uncertain purity)', '2-Methyl-1-nitroanthraquinone (uncertain purity)', 'NSC8', '9, 2-methyl-1-nitro-', 'SCHEMBL3276062', 'CHEMBL1331312', 'Tox21_202474', 'BBL034672', 'MFCD00019142', 'STL428857', 'AKOS001574453', 'WLN: L C666 BV IVJ DNW E1', 'NCGC00091877-01', 'NCGC00091877-02', 'NCGC00260023-01', '2-Methyl-1-nitroanthra-9,10-quinone #', 'CAS-129-15-7', 'SY094030', 'VS-12635', 'NS00024068', 'C19264', 'Q27155888'] |
From Pubchem