[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate CAS Name: 2-(2-methoxyanilino)-3-pyridinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(o-anisidino)nicotinic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19N3O6/c1-28-17-7-3-2-6-16(17)25-21-15(5-4-10-23-21)22(27)29-12-20(26)24-14-8-9-18-19(11-14)31-13-30-18/h2-11H,12-13H2,1H3,(H,23,25)(H,24,26)