1-(2,6-dimethyl-3-nitro-phenyl)-4-oxidanyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(2,6-dimethyl-3-nitro-phenyl)-4-oxidanyl-pyrazole-3-carboxylic acid Openeye Name: 1-(2,6-dimethyl-3-nitro-phenyl)-4-hydroxy-pyrazole-3-carboxylic acid CAS Name: 1-(2,6-dimethyl-3-nitrophenyl)-4-hydroxy-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,6-dimethyl-3-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid Traditional Name: 1-(2,6-dimethyl-3-nitro-phenyl)-4-hydroxy-pyrazole-3-carboxylic acid Formula: C12H11N3O5 MolecularWeight: 277.23284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N2C=C(C(=N2)C(=O)O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N2C=C(C(=N2)C(=O)O)O

InChI

InChI=1S/C12H11N3O5/c1-6-3-4-8(15(19)20)7(2)11(6)14-5-9(16)10(13-14)12(17)18/h3-5,16H,1-2H3,(H,17,18)