2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-phenyl-ethanoic acid Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-phenyl-acetic acid CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-phenylacetic acid IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-phenylacetic acid Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-phenyl-acetic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C2=CC=CC=C2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C2=CC=CC=C2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-8-11(16(19)20)9(2)15(14-8)12(13(17)18)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H,17,18)