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

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7/c1-11(2)5-4-6-12(3)19-17(21)9-25-18(22)13-7-15-16(27-10-26-15)8-14(13)20(23)24/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,21)