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

Systemtic Name: 3-(4-nitrophenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-nitrophenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-nitrophenyl)-1-phenyl-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-nitrophenyl)-1-phenyl-5-propylpyrazole-4-carboxylic acid Traditional Name: 3-(4-nitrophenyl)-1-phenyl-5-propyl-pyrazole-4-carboxylic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4/c1-2-6-16-17(19(23)24)18(13-9-11-15(12-10-13)22(25)26)20-21(16)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3,(H,23,24)