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

Systemtic Name: ethyl 3-[1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate Openeye Name: ethyl 3-[1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate CAS Name: 3-[1-[(4-nitrophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate Traditional Name: 3-[4-keto-1-(4-nitrobenzoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]propionic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-2-30-20(26)12-14-22-17-5-3-4-6-18(17)23(13-11-19(22)25)21(27)15-7-9-16(10-8-15)24(28)29/h3-10H,2,11-14H2,1H3