[2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H16ClN3O6 MolecularWeight: 453.83194

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)COC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)COC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O6/c23-19-8-5-13(10-24-19)22(29)30-11-20(27)26-16-4-2-1-3-15(16)21(28)25-14-6-7-17-18(9-14)32-12-31-17/h1-10H,11-12H2,(H,25,28)(H,26,27)