ethyl 1-ethyl-3-[(4-fluoranyl-2-nitro-phenyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(4-fluoranyl-2-nitro-phenyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-ethyl-3-(4-fluoro-2-nitro-anilino)pyrazole-4-carboxylate CAS Name: 1-ethyl-3-(4-fluoro-2-nitroanilino)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-(4-fluoro-2-nitroanilino)pyrazole-4-carboxylate Traditional Name: 1-ethyl-3-(4-fluoro-2-nitro-anilino)pyrazole-4-carboxylic acid ethyl ester Formula: C14H15FN4O4 MolecularWeight: 322.291703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C14H15FN4O4/c1-3-18-8-10(14(20)23-4-2)13(17-18)16-11-6-5-9(15)7-12(11)19(21)22/h5-8H,3-4H2,1-2H3,(H,16,17)