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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(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=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C14H14N4O3/c19-12-3-1-2-4-13(12)21-14(20)10-5-7-11(8-6-10)18-9-15-16-17-18/h5-9,13H,1-4H2/t13-/m0/s1