[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenyl-propan-2-yl] 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-phenyl-ethyl] 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid [(2S)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-phenylpropan-2-yl] 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid [(1S)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C=NN=N3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)N3C=NN=N3

InChI

InChI=1S/C17H14N4O3/c1-12(16(22)13-6-3-2-4-7-13)24-17(23)14-8-5-9-15(10-14)21-11-18-19-20-21/h2-12H,1H3/t12-/m0/s1