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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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