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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-3-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-4-5-18-19(21(25)26)20(15-7-10-16(11-8-15)24(27)28)22-23(18)17-9-6-13(2)14(3)12-17/h6-12H,4-5H2,1-3H3,(H,25,26)