[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

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