[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-phenyl-2-(1,2,3,4-tetrazol-1-yl)propanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate CAS Name: (2R)-3-phenyl-2-(1-tetrazolyl)propanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (2R)-3-phenyl-2-(tetrazol-1-yl)propanoate Traditional Name: (2R)-3-phenyl-2-(tetrazol-1-yl)propionic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C19H16N6O3 MolecularWeight: 376.36874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC=CC=C2C#N)N3C=NN=N3

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)OCC(=O)NC2=CC=CC=C2C#N)N3C=NN=N3

InChI

InChI=1S/C19H16N6O3/c20-11-15-8-4-5-9-16(15)22-18(26)12-28-19(27)17(25-13-21-23-24-25)10-14-6-2-1-3-7-14/h1-9,13,17H,10,12H2,(H,22,26)/t17-/m1/s1