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

Systemtic Name: ethyl 2-[1-(4-aminophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate Openeye Name: ethyl 2-[1-(4-aminobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate CAS Name: 2-[1-[(4-aminophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-aminobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]propanoate Traditional Name: 2-[1-(4-aminobenzoyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]propionic acid ethyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CCOC(=O)C(C)N1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H23N3O4/c1-3-28-21(27)14(2)24-18-7-5-4-6-17(18)23(13-12-19(24)25)20(26)15-8-10-16(22)11-9-15/h4-11,14H,3,12-13,22H2,1-2H3