1-(4-nitrophenyl)-5-propan-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-nitrophenyl)-5-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 5-isopropyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-nitrophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 5-isopropyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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