[1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H15ClN2O3 MolecularWeight: 318.7549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3/c1-10-5-6-13(8-14(10)17)19-15(20)11(2)22-16(21)12-4-3-7-18-9-12/h3-9,11H,1-2H3,(H,19,20)