methyl 5-cyano-6-oxidanylidene-1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-6-oxidanylidene-1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-oxo-1-[(1-propyltetrazol-5-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-oxo-1-[(1-propyl-5-tetrazolyl)methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-1-[(1-propyltetrazol-5-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-keto-1-[(1-propyltetrazol-5-yl)methyl]nicotinic acid methyl ester Formula: C13H14N6O3 MolecularWeight: 302.28866

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C=C(C=C(C2=O)C#N)C(=O)OC

Isomeric SMILES

CCCN1C(=NN=N1)CN2C=C(C=C(C2=O)C#N)C(=O)OC

InChI

InChI=1S/C13H14N6O3/c1-3-4-19-11(15-16-17-19)8-18-7-10(13(21)22-2)5-9(6-14)12(18)20/h5,7H,3-4,8H2,1-2H3