2-(8-carboxy-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate hydrochloride

Systemtic Name: 2-(8-carboxy-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate hydrochloride Openeye Name: 2-(8-carboxy-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate hydrochloride CAS Name: 2-(8-carboxy-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate hydrochloride IUPAC Name: 2-(8-carboxy-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate hydrochloride Traditional Name: 2-(8-carboxy-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate hydrochloride Formula: C20H20ClN2O5- MolecularWeight: 403.8362

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)O)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)[O-].Cl

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)O)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)[O-].Cl

InChI

InChI=1S/C20H20N2O5.ClH/c23-18(24)11-17-19(25)22(9-8-13-4-2-1-3-5-13)12-15-7-6-14(20(26)27)10-16(15)21-17;/h1-7,10,17,21H,8-9,11-12H2,(H,23,24)(H,26,27);1H/p-1