5-methyl-3-(3-nitrophenyl)-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-3-(3-nitrophenyl)-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 5-methyl-3-(3-nitrophenyl)-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 5-methyl-3-(3-nitrophenyl)-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 5-methyl-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid Traditional Name: 5-methyl-3-(3-nitrophenyl)-1-phenyl-pyrazole-4-carboxylic acid Formula: C17H13N3O4 MolecularWeight: 323.30282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H13N3O4/c1-11-15(17(21)22)16(12-6-5-9-14(10-12)20(23)24)18-19(11)13-7-3-2-4-8-13/h2-10H,1H3,(H,21,22)