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

Systemtic Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 1-methyl-2-oxidanylidene-pyridine-3-carboxylate Openeye Name: [5-(p-tolyl)isoxazol-3-yl]methyl 1-methyl-2-oxo-pyridine-3-carboxylate CAS Name: 1-methyl-2-oxo-3-pyridinecarboxylic acid [5-(4-methylphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 1-methyl-2-oxopyridine-3-carboxylate Traditional Name: 2-keto-1-methyl-nicotinic acid [5-(p-tolyl)isoxazol-3-yl]methyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=CN(C3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC=CN(C3=O)C

InChI

InChI=1S/C18H16N2O4/c1-12-5-7-13(8-6-12)16-10-14(19-24-16)11-23-18(22)15-4-3-9-20(2)17(15)21/h3-10H,11H2,1-2H3