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

Systemtic Name: 1-(2,6-dimethyl-3-nitro-phenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(2,6-dimethyl-3-nitro-phenyl)pyrazole-3-carboxylic acid CAS Name: 1-(2,6-dimethyl-3-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(2,6-dimethyl-3-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2,6-dimethyl-3-nitro-phenyl)pyrazole-3-carboxylic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4/c1-7-3-4-10(15(18)19)8(2)11(7)14-6-5-9(13-14)12(16)17/h3-6H,1-2H3,(H,16,17)