[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C18H19ClN2O3/c1-3-12(2)13-7-4-5-9-15(13)21-16(22)11-24-18(23)14-8-6-10-20-17(14)19/h4-10,12H,3,11H2,1-2H3,(H,21,22)