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

Systemtic Name: ethyl 2-[1-(4-azanyl-2-chloranyl-phenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(4-amino-2-chloro-benzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[(4-amino-2-chlorophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-amino-2-chlorobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[1-(4-amino-2-chloro-benzoyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)N)Cl

Isomeric SMILES

CCOC(=O)CN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3)N)Cl

InChI

InChI=1S/C20H20ClN3O4/c1-2-28-19(26)12-24-17-6-4-3-5-16(17)23(10-9-18(24)25)20(27)14-8-7-13(22)11-15(14)21/h3-8,11H,2,9-10,12,22H2,1H3