1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylic acid CAS Name: 1-(4-butylphenyl)-3-(2-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-butylphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3[N+](=O)[O-])C(=O)O

InChI

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