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

Systemtic Name: 2-[8-carboxy-3-oxidanylidene-4-(1-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-carboxy-3-oxo-4-(1-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-carboxy-3-oxo-4-(1-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-carboxy-3-oxo-4-(1-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-carboxy-3-keto-4-(1-phenylethyl)-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:

CC(C1=CC=CC=C1)N2CC3=C(C=C(C=C3)C(=O)O)NC(C2=O)CC(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)N2CC3=C(C=C(C=C3)C(=O)O)NC(C2=O)CC(=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-12(13-5-3-2-4-6-13)22-11-15-8-7-14(20(26)27)9-16(15)21-17(19(22)25)10-18(23)24/h2-9,12,17,21H,10-11H2,1H3,(H,23,24)(H,26,27)/p-1