[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C21H17FN4O5 MolecularWeight: 424.381883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F)C4=CC=CC=C4

InChI

InChI=1S/C21H17FN4O5/c22-16-9-8-15(26(29)30)10-18(16)23-20(27)12-31-21(28)19-11-17(13-6-7-13)24-25(19)14-4-2-1-3-5-14/h1-5,8-11,13H,6-7,12H2,(H,23,27)