[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H15FN2O7 MolecularWeight: 390.319303

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15FN2O7/c19-12-3-1-11(2-4-12)5-6-20-17(22)9-26-18(23)13-7-15-16(28-10-27-15)8-14(13)21(24)25/h1-4,7-8H,5-6,9-10H2,(H,20,22)