1,4-bis[(4-methylphenyl)amino]-2,7-dinitro-anthracene-9,10-dione

Systemtic Name: 1,4-bis[(4-methylphenyl)amino]-2,7-dinitro-anthracene-9,10-dione Openeye Name: 1,4-bis(4-methylanilino)-2,7-dinitro-anthracene-9,10-dione CAS Name: 1,4-bis(4-methylanilino)-2,7-dinitroanthracene-9,10-dione IUPAC Name: 1,4-bis(4-methylanilino)-2,7-dinitroanthracene-9,10-dione Traditional Name: 2,7-dinitro-1,4-bis(p-toluidino)-9,10-anthraquinone Formula: C28H20N4O6 MolecularWeight: 508.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])NC5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])NC5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C28H20N4O6/c1-15-3-7-17(8-4-15)29-22-14-23(32(37)38)26(30-18-9-5-16(2)6-10-18)25-24(22)27(33)20-12-11-19(31(35)36)13-21(20)28(25)34/h3-14,29-30H,1-2H3