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

Systemtic Name: ethyl 2-[1-(4-azanyl-3-methoxy-phenyl)carbonyl-7-chloranyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(4-amino-3-methoxy-benzoyl)-7-chloro-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[(4-amino-3-methoxyphenyl)-oxomethyl]-7-chloro-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-amino-3-methoxybenzoyl)-7-chloro-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[1-(4-amino-3-methoxy-benzoyl)-7-chloro-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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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)OC

Isomeric SMILES

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)Cl)C(=O)C3=CC(=C(C=C3)N)OC

InChI

InChI=1S/C21H22ClN3O5/c1-3-30-20(27)12-25-17-11-14(22)5-7-16(17)24(9-8-19(25)26)21(28)13-4-6-15(23)18(10-13)29-2/h4-7,10-11H,3,8-9,12,23H2,1-2H3