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

Systemtic Name: 4-[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[4-(4-methylanilino)-3,5-dinitro-benzoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[4-(4-methylanilino)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[4-(4-methylanilino)-3,5-dinitrobenzoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[3,5-dinitro-4-(p-toluidino)benzoyl]-1,3-dihydroquinoxalin-2-one Formula: C22H17N5O6 MolecularWeight: 447.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3CC(=O)NC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O6/c1-13-6-8-15(9-7-13)23-21-18(26(30)31)10-14(11-19(21)27(32)33)22(29)25-12-20(28)24-16-4-2-3-5-17(16)25/h2-11,23H,12H2,1H3,(H,24,28)