[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C17H18N2O3/c1-11-4-5-12(2)15(10-11)19-16(20)13(3)22-17(21)14-6-8-18-9-7-14/h4-10,13H,1-3H3,(H,19,20)