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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1N2C=NN=N2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1N2C=NN=N2)/N

InChI

InChI=1S/C14H12N6O3/c1-9(16)11(6-15)13(21)7-23-14(22)10-4-2-3-5-12(10)20-8-17-18-19-20/h2-5,8H,7,16H2,1H3/b11-9+