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

Systemtic Name: ethyl 3-[(4-fluoranyl-2-nitro-phenyl)amino]-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(4-fluoro-2-nitro-anilino)-1-propyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluoro-2-nitroanilino)-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluoro-2-nitroanilino)-1-propylpyrazole-4-carboxylate Traditional Name: 3-(4-fluoro-2-nitro-anilino)-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17FN4O4 MolecularWeight: 336.318283

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCN1C=C(C(=N1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C15H17FN4O4/c1-3-7-19-9-11(15(21)24-4-2)14(18-19)17-12-6-5-10(16)8-13(12)20(22)23/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)