1-[(4-methylphenyl)amino]-8-nitro-4,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1-[(4-methylphenyl)amino]-8-nitro-4,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,8-dihydroxy-4-(4-methylanilino)-5-nitro-anthracene-9,10-dione CAS Name: 1,8-dihydroxy-4-(4-methylanilino)-5-nitroanthracene-9,10-dione IUPAC Name: 1,8-dihydroxy-4-(4-methylanilino)-5-nitroanthracene-9,10-dione Traditional Name: 1,8-dihydroxy-4-nitro-5-(p-toluidino)-9,10-anthraquinone Formula: C21H14N2O6 MolecularWeight: 390.34566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O

InChI

InChI=1S/C21H14N2O6/c1-10-2-4-11(5-3-10)22-12-6-8-14(24)18-16(12)20(26)17-13(23(28)29)7-9-15(25)19(17)21(18)27/h2-9,22,24-25H,1H3