ethyl 4-[1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoate

Systemtic Name: ethyl 4-[1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoate Openeye Name: ethyl 4-[1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoate CAS Name: 4-[1-[(4-nitrophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoate Traditional Name: 4-[4-keto-1-(4-nitrobenzoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]butyric acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-2-31-21(27)8-5-14-23-18-6-3-4-7-19(18)24(15-13-20(23)26)22(28)16-9-11-17(12-10-16)25(29)30/h3-4,6-7,9-12H,2,5,8,13-15H2,1H3