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

Systemtic Name: methyl 5-cyano-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-oxo-1-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxylate CAS Name: 5-cyano-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxopyridine-3-carboxylate Traditional Name: 5-cyano-6-keto-1-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]nicotinic acid methyl ester Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)CN3C=C(C=C(C3=O)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)CN3C=C(C=C(C3=O)C#N)C(=O)OC

InChI

InChI=1S/C18H14N4O4/c1-11-3-5-12(6-4-11)16-20-15(26-21-16)10-22-9-14(18(24)25-2)7-13(8-19)17(22)23/h3-7,9H,10H2,1-2H3