1-(4,6-dimethylpyrimidin-2-yl)-5-(3-nitrophenyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(3-nitrophenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(3-nitrophenyl)pyrazole-3-carboxylic acid CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-5-(3-nitrophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(3-nitrophenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-5-(3-nitrophenyl)pyrazole-3-carboxylic acid Formula: C16H13N5O4 MolecularWeight: 339.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H13N5O4/c1-9-6-10(2)18-16(17-9)20-14(8-13(19-20)15(22)23)11-4-3-5-12(7-11)21(24)25/h3-8H,1-2H3,(H,22,23)