[2-[(3-butoxycarbonyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(3-butoxycarbonyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(3-butoxycarbonyl-4-chloro-anilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[3-[butoxy(oxo)methyl]-4-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-(3-butoxycarbonyl-4-chloroanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(3-butoxycarbonyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5/c1-2-3-9-26-19(25)15-10-14(6-7-16(15)20)22-17(23)12-27-18(24)13-5-4-8-21-11-13/h4-8,10-11H,2-3,9,12H2,1H3,(H,22,23)