4-[2,4-bis[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2,4-bis[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2,4-bis(4-methylanilino)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[2,4-bis(4-methylanilino)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2,4-bis(4-methylanilino)-3,5-dinitrobenzoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[3,5-dinitro-2,4-bis(p-toluidino)benzoyl]-1,3-dihydroquinoxalin-2-one Formula: C29H24N6O6 MolecularWeight: 552.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(C=C2C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-])NC5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(C=C2C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-])NC5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C29H24N6O6/c1-17-7-11-19(12-8-17)30-26-21(29(37)33-16-25(36)32-22-5-3-4-6-23(22)33)15-24(34(38)39)27(28(26)35(40)41)31-20-13-9-18(2)10-14-20/h3-15,30-31H,16H2,1-2H3,(H,32,36)