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

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: 1-[(2,4-dimethylphenyl)carbamoyl]propyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-(2,4-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxobutan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 1-[(2,4-dimethylphenyl)carbamoyl]propyl ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3/c1-4-15(24-18(23)13-7-8-20-16(19)10-13)17(22)21-14-6-5-11(2)9-12(14)3/h5-10,15H,4H2,1-3H3,(H,21,22)