(5S)-7-bromanyl-4-(3,5-dinitrophenyl)carbonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: (5S)-7-bromanyl-4-(3,5-dinitrophenyl)carbonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: (5S)-7-bromo-4-(3,5-dinitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: (5S)-7-bromo-4-[(3,5-dinitrophenyl)-oxomethyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: (5S)-7-bromo-4-(3,5-dinitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: (5S)-7-bromo-4-(3,5-dinitrobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H15BrN4O6 MolecularWeight: 511.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN4O6/c23-15-6-7-19-18(10-15)21(13-4-2-1-3-5-13)25(12-20(28)24-19)22(29)14-8-16(26(30)31)11-17(9-14)27(32)33/h1-11,21H,12H2,(H,24,28)/t21-/m0/s1