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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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