methyl 5-cyano-6-oxidanylidene-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-6-oxidanylidene-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxylate Openeye Name: methyl 5-cyano-6-oxo-1-[(5-phenylisoxazol-3-yl)methyl]pyridine-3-carboxylate CAS Name: 5-cyano-6-oxo-1-[(5-phenyl-3-isoxazolyl)methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-6-oxo-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-keto-1-[(5-phenylisoxazol-3-yl)methyl]nicotinic acid methyl ester Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C(=C1)C#N)CC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H13N3O4/c1-24-18(23)14-7-13(9-19)17(22)21(10-14)11-15-8-16(25-20-15)12-5-3-2-4-6-12/h2-8,10H,11H2,1H3