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

Systemtic Name: 5-ethyl-1-(4-methoxyphenyl)-3-(4-nitro-3-oxidanyl-phenyl)pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-3-(3-hydroxy-4-nitro-phenyl)-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid CAS Name: 5-ethyl-3-(3-hydroxy-4-nitrophenyl)-1-(4-methoxyphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-3-(3-hydroxy-4-nitrophenyl)-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 5-ethyl-3-(3-hydroxy-4-nitro-phenyl)-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O6/c1-3-14-17(19(24)25)18(11-4-9-15(22(26)27)16(23)10-11)20-21(14)12-5-7-13(28-2)8-6-12/h4-10,23H,3H2,1-2H3,(H,24,25)