[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H10ClFN2O7 MolecularWeight: 396.711203

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10ClFN2O7/c17-8-1-2-10(18)11(3-8)19-15(21)6-25-16(22)9-4-13-14(27-7-26-13)5-12(9)20(23)24/h1-5H,6-7H2,(H,19,21)