[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C13H11FN2O7 MolecularWeight: 326.234043

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1COC(=CO1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11FN2O7/c14-9-2-1-8(5-10(9)16(19)20)15-12(17)7-23-13(18)11-6-21-3-4-22-11/h1-2,5-6H,3-4,7H2,(H,15,17)