1-(3,4-dimethylphenyl)-5-ethyl-3-(4-nitro-3-oxidanyl-phenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(4-nitro-3-oxidanyl-phenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(3-hydroxy-4-nitro-phenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(3-hydroxy-4-nitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(3-hydroxy-4-nitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3,4-dimethylphenyl)-5-ethyl-3-(3-hydroxy-4-nitro-phenyl)pyrazole-4-carboxylic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=C(C=C2)C)C)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=C(C=C2)C)C)C3=CC(=C(C=C3)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C20H19N3O5/c1-4-15-18(20(25)26)19(13-6-8-16(23(27)28)17(24)10-13)21-22(15)14-7-5-11(2)12(3)9-14/h5-10,24H,4H2,1-3H3,(H,25,26)