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

Systemtic Name: 1-(4-bromophenyl)-3-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-3-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-3-(4-nitrophenyl)-5-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-3-(4-nitrophenyl)-5-propylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-3-(4-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O4/c1-2-3-16-17(19(24)25)18(12-4-8-15(9-5-12)23(26)27)21-22(16)14-10-6-13(20)7-11-14/h4-11H,2-3H2,1H3,(H,24,25)