[2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-[1-cyclopentenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-[cyclopenten-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCC1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCN(C1=CCCC1)C(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H18N2O7/c1-2-18(11-5-3-4-6-11)16(20)9-24-17(21)12-7-14-15(26-10-25-14)8-13(12)19(22)23/h5,7-8H,2-4,6,9-10H2,1H3