2-(4-nitrophenyl)-5-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)-5-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 5-isopropyl-2-(4-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 2-(4-nitrophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 5-isopropyl-2-(4-nitrophenyl)pyrazole-3-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN(C(=C1)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-8(2)11-7-12(13(17)18)15(14-11)9-3-5-10(6-4-9)16(19)20/h3-8H,1-2H3,(H,17,18)