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

Systemtic Name: ethyl 3-[(4-fluoranyl-2-nitro-phenyl)amino]-1-hexyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(4-fluoro-2-nitro-anilino)-1-hexyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluoro-2-nitroanilino)-1-hexyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluoro-2-nitroanilino)-1-hexylpyrazole-4-carboxylate Traditional Name: 3-(4-fluoro-2-nitro-anilino)-1-hexyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H23FN4O4 MolecularWeight: 378.398023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCN1C=C(C(=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H23FN4O4/c1-3-5-6-7-10-22-12-14(18(24)27-4-2)17(21-22)20-15-9-8-13(19)11-16(15)23(25)26/h8-9,11-12H,3-7,10H2,1-2H3,(H,20,21)