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

Systemtic Name: [1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[(3-chloro-4-methyl-phenyl)carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[(3-chloro-4-methyl-phenyl)carbamoyl]propyl ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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