[1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-butan-2-yl] pyridine-4-carboxylate Openeye Name: 1-[(3-chlorophenyl)carbamoyl]propyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [1-(3-chloroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxobutan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid 1-[(3-chlorophenyl)carbamoyl]propyl ester Formula: C16H15ClN2O3 MolecularWeight: 318.7549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3/c1-2-14(22-16(21)11-6-8-18-9-7-11)15(20)19-13-5-3-4-12(17)10-13/h3-10,14H,2H2,1H3,(H,19,20)