1-methyl-5-[[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[[3-nitro-5-[3-(trifluoromethyl)phenoxy]anilino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrazole-4-carboxylic acid Formula: C19H13F3N4O6 MolecularWeight: 450.32493

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC(=CC(=C2)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H13F3N4O6/c1-25-16(15(9-23-25)18(28)29)17(27)24-11-6-12(26(30)31)8-14(7-11)32-13-4-2-3-10(5-13)19(20,21)22/h2-9H,1H3,(H,24,27)(H,28,29)