(4-nitrophenyl)methyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C18H13ClFN3O4 MolecularWeight: 389.764923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H13ClFN3O4/c1-11-16(17(19)22(21-11)14-8-4-13(20)5-9-14)18(24)27-10-12-2-6-15(7-3-12)23(25)26/h2-9H,10H2,1H3