[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)N2C=NN=N2)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C1=CC=C(C=C1)N2C=NN=N2)N

InChI

InChI=1S/C14H12N6O3/c1-9(16)12(6-15)13(21)7-23-14(22)10-2-4-11(5-3-10)20-8-17-18-19-20/h2-5,8,12H,1,7,16H2/t12-/m1/s1