[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=CC(=NC=C2)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=CC(=NC=C2)Cl)C

InChI

InChI=1S/C19H21ClN2O3/c1-4-13-8-6-7-12(3)17(13)22-18(23)15(5-2)25-19(24)14-9-10-21-16(20)11-14/h6-11,15H,4-5H2,1-3H3,(H,22,23)