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

Systemtic Name: 2-(8-carboxy-3-oxidanylidene-2-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)ethanoate Openeye Name: 2-(8-carboxy-3-oxo-2-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetate CAS Name: 2-(8-carboxy-3-oxo-2-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetate IUPAC Name: 2-(8-carboxy-3-oxo-2-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetate Traditional Name: 2-(8-carboxy-3-keto-2-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-4-yl)acetate Formula: C20H19N2O5- MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)O)NC(C(=O)N1CC(=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)O)NC(C(=O)N1CC(=O)[O-])CCC3=CC=CC=C3

InChI

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