(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(tetrazol-1-yl)benzoate CAS Name: 2-(1-tetrazolyl)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(tetrazol-1-yl)benzoate Traditional Name: 2-(tetrazol-1-yl)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H12N6O3 MolecularWeight: 312.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-5,8,11,16H,7H2,1H3