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

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5/c1-3-13(2)14-4-7-16(8-5-14)21-19(22)11-24-20(23)15-6-9-17-18(10-15)26-12-25-17/h4-10,13H,3,11-12H2,1-2H3,(H,21,22)