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

Systemtic Name: 5-ethyl-1-(3-methylphenyl)-3-(4-nitro-3-oxidanyl-phenyl)pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-3-(3-hydroxy-4-nitro-phenyl)-1-(m-tolyl)pyrazole-4-carboxylic acid CAS Name: 5-ethyl-3-(3-hydroxy-4-nitrophenyl)-1-(3-methylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-3-(3-hydroxy-4-nitrophenyl)-1-(3-methylphenyl)pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-3-(3-hydroxy-4-nitro-phenyl)-1-(m-tolyl)pyrazole-4-carboxylic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5/c1-3-14-17(19(24)25)18(12-7-8-15(22(26)27)16(23)10-12)20-21(14)13-6-4-5-11(2)9-13/h4-10,23H,3H2,1-2H3,(H,24,25)