7-chloranyl-4-(3-nitrophenyl)carbonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-4-(3-nitrophenyl)carbonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-4-(3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-4-[(3-nitrophenyl)-oxomethyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-4-(3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-4-(3-nitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H16ClN3O4/c23-16-9-10-19-18(12-16)21(14-5-2-1-3-6-14)25(13-20(27)24-19)22(28)15-7-4-8-17(11-15)26(29)30/h1-12,21H,13H2,(H,24,27)