[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C18H17ClN2O4 MolecularWeight: 360.79158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C18H17ClN2O4/c1-2-4-16(23)21-13-8-6-12(7-9-13)15(22)11-25-18(24)14-5-3-10-20-17(14)19/h3,5-10H,2,4,11H2,1H3,(H,21,23)