1,4-bis[(4-methylphenyl)amino]-2,3-dinitro-anthracene-9,10-dione

Systemtic Name: 1,4-bis[(4-methylphenyl)amino]-2,3-dinitro-anthracene-9,10-dione Openeye Name: 1,4-bis(4-methylanilino)-2,3-dinitro-anthracene-9,10-dione CAS Name: 1,4-bis(4-methylanilino)-2,3-dinitroanthracene-9,10-dione IUPAC Name: 1,4-bis(4-methylanilino)-2,3-dinitroanthracene-9,10-dione Traditional Name: 2,3-dinitro-1,4-bis(p-toluidino)-9,10-anthraquinone Formula: C28H20N4O6 MolecularWeight: 508.4816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)NC5=CC=C(C=C5)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

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