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

Systemtic Name: methyl 6-oxidanylidene-1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]pyridine-3-carboxylate Openeye Name: methyl 6-oxo-1-[(1-propyltetrazol-5-yl)methyl]pyridine-3-carboxylate CAS Name: 6-oxo-1-[(1-propyl-5-tetrazolyl)methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-oxo-1-[(1-propyltetrazol-5-yl)methyl]pyridine-3-carboxylate Traditional Name: 6-keto-1-[(1-propyltetrazol-5-yl)methyl]nicotinic acid methyl ester Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C=C(C=CC2=O)C(=O)OC

Isomeric SMILES

CCCN1C(=NN=N1)CN2C=C(C=CC2=O)C(=O)OC

InChI

InChI=1S/C12H15N5O3/c1-3-6-17-10(13-14-15-17)8-16-7-9(12(19)20-2)4-5-11(16)18/h4-5,7H,3,6,8H2,1-2H3