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

Systemtic Name: ethyl 3-[(4-fluoranyl-2-nitro-phenyl)amino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(4-fluoro-2-nitro-anilino)-1-methyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluoro-2-nitroanilino)-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluoro-2-nitroanilino)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(4-fluoro-2-nitro-anilino)-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H13FN4O4 MolecularWeight: 308.265123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1NC2=C(C=C(C=C2)F)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1NC2=C(C=C(C=C2)F)[N+](=O)[O-])C

InChI

InChI=1S/C13H13FN4O4/c1-3-22-13(19)9-7-17(2)16-12(9)15-10-5-4-8(14)6-11(10)18(20)21/h4-7H,3H2,1-2H3,(H,15,16)