(3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 2-[(3-chloranyl-2-methyl-phenyl)amino]pyridine-3-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 2-(3-chloro-2-methyl-anilino)pyridine-3-carboxylate CAS Name: 2-(3-chloro-2-methylanilino)-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate Traditional Name: 2-(3-chloro-2-methyl-anilino)nicotinic acid phthalidyl ester Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)OC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)OC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H15ClN2O4/c1-12-16(22)9-4-10-17(12)24-18-15(8-5-11-23-18)20(26)28-21-14-7-3-2-6-13(14)19(25)27-21/h2-11,21H,1H3,(H,23,24)