1-(3-methylphenyl)-3-(3-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-methylphenyl)-3-(3-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(m-tolyl)-3-(3-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-methylphenyl)-3-(3-nitrophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-methylphenyl)-3-(3-nitrophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(m-tolyl)-3-(3-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C2=CC=CC(=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC1=C(C(=NN1C2=CC=CC(=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H19N3O4/c1-3-6-17-18(20(24)25)19(14-8-5-10-16(12-14)23(26)27)21-22(17)15-9-4-7-13(2)11-15/h4-5,7-12H,3,6H2,1-2H3,(H,24,25)