2-(7-carboxy-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: 2-(7-carboxy-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: 2-(7-carboxy-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(7-carboxy-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate IUPAC Name: 2-(7-carboxy-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(7-carboxy-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Formula: C20H19N2O5- MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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