[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] 4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 4-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzoic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] 4-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C20H17FN4O5 MolecularWeight: 412.371183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN4O5/c1-13-10-18(25(28)29)23-24(13)11-14-6-8-15(9-7-14)20(27)30-12-19(26)22-17-5-3-2-4-16(17)21/h2-10H,11-12H2,1H3,(H,22,26)