1-[(2-nitrophenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2-nitrophenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(2-nitrophenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2-nitrophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-nitrophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(2-nitrobenzyl)pyrazole-4-carboxylic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4/c15-11(16)9-5-12-13(7-9)6-8-3-1-2-4-10(8)14(17)18/h1-5,7H,6H2,(H,15,16)