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

Systemtic Name: ethyl 2-[1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate Openeye Name: ethyl 2-[1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate CAS Name: 2-[1-[(4-nitrophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate Traditional Name: 2-[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)C(C)N1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)N1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-3-30-21(27)14(2)23-18-7-5-4-6-17(18)22(13-12-19(23)25)20(26)15-8-10-16(11-9-15)24(28)29/h4-11,14H,3,12-13H2,1-2H3