[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 6-methylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 6-methylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 6-methylpyridine-3-carboxylate CAS Name: 6-methyl-3-pyridinecarboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 6-methylpyridine-3-carboxylate Traditional Name: 6-methylnicotinic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)OCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O3/c1-13-7-8-15(11-19-13)18(23)24-12-17(22)21-10-9-16(20-21)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3