ethyl 3-[[4,5-bis(fluoranyl)-2-nitro-phenyl]amino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[[4,5-bis(fluoranyl)-2-nitro-phenyl]amino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(4,5-difluoro-2-nitro-anilino)-1-methyl-pyrazole-4-carboxylate CAS Name: 3-(4,5-difluoro-2-nitroanilino)-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4,5-difluoro-2-nitroanilino)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(4,5-difluoro-2-nitro-anilino)-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C13H12F2N4O4 MolecularWeight: 326.255586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F2N4O4/c1-3-23-13(20)7-6-18(2)17-12(7)16-10-4-8(14)9(15)5-11(10)19(21)22/h4-6H,3H2,1-2H3,(H,16,17)