[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H18ClNO6 MolecularWeight: 439.84512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C23H18ClNO6/c1-28-18-10-8-16(12-17(18)24)25-22(26)21(14-5-3-2-4-6-14)31-23(27)15-7-9-19-20(11-15)30-13-29-19/h2-12,21H,13H2,1H3,(H,25,26)