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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C14H16N2O7 MolecularWeight: 324.28604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O7/c1-3-8(2)15-13(17)6-21-14(18)9-4-11-12(23-7-22-11)5-10(9)16(19)20/h4-5,8H,3,6-7H2,1-2H3,(H,15,17)