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

Systemtic Name: 4-methyl-1-(4-nitrophenyl)-5-propan-2-yl-pyrazole-3-carboxylic acid Openeye Name: 5-isopropyl-4-methyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 4-methyl-1-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 4-methyl-1-(4-nitrophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid Traditional Name: 5-isopropyl-4-methyl-1-(4-nitrophenyl)pyrazole-3-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C14H15N3O4/c1-8(2)13-9(3)12(14(18)19)15-16(13)10-4-6-11(7-5-10)17(20)21/h4-8H,1-3H3,(H,18,19)