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

Systemtic Name: [2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-3-23(4-2)20(25)14-5-8-16(9-6-14)22-19(24)12-27-21(26)15-7-10-17-18(11-15)29-13-28-17/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)