[2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17FN4O6 MolecularWeight: 428.370583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O6/c1-2-30-14-7-8-15(18(9-14)25(28)29)22-19(26)11-31-20(27)17-10-16(23-24-17)12-3-5-13(21)6-4-12/h3-10H,2,11H2,1H3,(H,22,26)(H,23,24)