[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C15H18N2O7 MolecularWeight: 338.31262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C15H18N2O7/c1-4-15(2,3)16-13(18)7-22-14(19)9-5-11-12(24-8-23-11)6-10(9)17(20)21/h5-6H,4,7-8H2,1-3H3,(H,16,18)