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

Systemtic Name: [2-[(3-butoxycarbonyl-4-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(3-butoxycarbonyl-4-chloro-anilino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[3-[butoxy(oxo)methyl]-4-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-(3-butoxycarbonyl-4-chloroanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(3-butoxycarbonyl-4-chloro-anilino)-2-keto-ethyl] ester Formula: C21H20ClNO7 MolecularWeight: 433.839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C21H20ClNO7/c1-2-3-8-27-21(26)15-10-14(5-6-16(15)22)23-19(24)11-28-20(25)13-4-7-17-18(9-13)30-12-29-17/h4-7,9-10H,2-3,8,11-12H2,1H3,(H,23,24)