(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H13FN4O5 MolecularWeight: 384.318023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])F

InChI

InChI=1S/C18H13FN4O5/c19-13-5-3-10(4-6-13)14-8-15(22-21-14)18(25)28-9-12-2-1-11(17(20)24)7-16(12)23(26)27/h1-8H,9H2,(H2,20,24)(H,21,22)