[(1S)-2-oxidanylidenecyclohexyl] 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2N3C=NN=N3

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=CC=C2N3C=NN=N3

InChI

InChI=1S/C14H14N4O3/c19-12-7-3-4-8-13(12)21-14(20)10-5-1-2-6-11(10)18-9-15-16-17-18/h1-2,5-6,9,13H,3-4,7-8H2/t13-/m0/s1