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

Systemtic Name: 5-ethyl-3-(4-nitro-3-oxidanyl-phenyl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-ethyl-3-(3-hydroxy-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-ethyl-3-(3-hydroxy-4-nitrophenyl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-ethyl-3-(3-hydroxy-4-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-ethyl-3-(3-hydroxy-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxylic acid Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c1-2-13-16(18(23)24)17(19-20(13)12-6-4-3-5-7-12)11-8-9-14(21(25)26)15(22)10-11/h3-10,22H,2H2,1H3,(H,23,24)