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

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-[(3-chloro-2-methyl-phenyl)carbamoyl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[(3-chloro-2-methyl-phenyl)carbamoyl]propyl ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H17ClN2O3/c1-3-15(23-17(22)12-6-5-9-19-10-12)16(21)20-14-8-4-7-13(18)11(14)2/h4-10,15H,3H2,1-2H3,(H,20,21)