1-(2-methylpropyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-methylpropyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-isobutyl-3-(3-nitrophenyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-methylpropyl)-3-(3-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-methylpropyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-isobutyl-3-(3-nitrophenyl)pyrazole-4-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-9(2)7-16-8-12(14(18)19)13(15-16)10-4-3-5-11(6-10)17(20)21/h3-6,8-9H,7H2,1-2H3,(H,18,19)