[1-[(2-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-(o-tolylcarbamoyl)propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-(2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxobutan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 1-(o-tolylcarbamoyl)propyl ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C)OC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C)OC(=O)C2=CC(=NC=C2)Cl

InChI

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