[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C19H15FN4O5 MolecularWeight: 398.344603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)OCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H15FN4O5/c20-16-7-6-15(24(27)28)8-17(16)22-18(25)12-29-19(26)14-9-21-23(11-14)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,22,25)