(6S)-5-butanoyl-6-(4-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S)-5-butanoyl-6-(4-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S)-5-butanoyl-6-(4-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6S)-6-(4-nitrophenyl)-5-(1-oxobutyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S)-5-butanoyl-6-(4-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S)-5-butyryl-6-(4-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1[C@H](C2=C(CCCC2=O)NC3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4/c1-2-6-21(28)25-19-9-4-3-7-17(19)24-18-8-5-10-20(27)22(18)23(25)15-11-13-16(14-12-15)26(29)30/h3-4,7,9,11-14,23-24H,2,5-6,8,10H2,1H3/t23-/m0/s1