[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

InChI

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