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

Systemtic Name: ethyl 2-[1-(4-aminophenyl)carbonyl-7-methoxy-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(4-aminobenzoyl)-7-methoxy-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[(4-aminophenyl)-oxomethyl]-7-methoxy-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-aminobenzoyl)-7-methoxy-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[1-(4-aminobenzoyl)-4-keto-7-methoxy-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=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

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

InChI

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