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

Systemtic Name: ethyl 2-[1-(4-azanyl-3-methoxy-phenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(4-amino-3-methoxy-benzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[(4-amino-3-methoxyphenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-amino-3-methoxybenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[1-(4-amino-3-methoxy-benzoyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-3-29-20(26)13-24-17-7-5-4-6-16(17)23(11-10-19(24)25)21(27)14-8-9-15(22)18(12-14)28-2/h4-9,12H,3,10-11,13,22H2,1-2H3