5-butanoyl-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-butanoyl-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-butanoyl-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(3-nitrophenyl)-5-(1-oxobutyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-butanoyl-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-butyryl-6-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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