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

Systemtic Name: 2-(7-carboxy-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: 2-(7-carboxy-3-oxo-2-phenethyl-4,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(7-carboxy-3-oxo-2-phenethyl-4,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate IUPAC Name: 2-(7-carboxy-3-oxo-2-phenethyl-4,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(7-carboxy-3-keto-2-phenethyl-4,5-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)N1)(CCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)O)NC(C(=O)N1)(CCC3=CC=CC=C3)CC(=O)[O-]

InChI

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