ethyl 2-[7-chloranyl-1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-1-(4-nitrophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[7-chloro-1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[7-chloro-1-[(4-nitrophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-chloro-1-(4-nitrobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[7-chloro-4-keto-1-(4-nitrobenzoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C20H18ClN3O6 MolecularWeight: 431.82642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O6/c1-2-30-19(26)12-23-17-11-14(21)5-8-16(17)22(10-9-18(23)25)20(27)13-3-6-15(7-4-13)24(28)29/h3-8,11H,2,9-10,12H2,1H3