5-methyl-3-(4-nitro-3-oxidanyl-phenyl)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-3-(4-nitro-3-oxidanyl-phenyl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-hydroxy-4-nitro-phenyl)-5-methyl-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-hydroxy-4-nitrophenyl)-5-methyl-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-hydroxy-4-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-(3-hydroxy-4-nitro-phenyl)-5-methyl-1-phenyl-pyrazole-4-carboxylic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C17H13N3O5/c1-10-15(17(22)23)16(18-19(10)12-5-3-2-4-6-12)11-7-8-13(20(24)25)14(21)9-11/h2-9,21H,1H3,(H,22,23)