[2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C13H11FN4O5 MolecularWeight: 322.248643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11FN4O5/c1-17-6-8(5-15-17)13(20)23-7-12(19)16-10-3-2-9(14)4-11(10)18(21)22/h2-6H,7H2,1H3,(H,16,19)