3-[(3-nitropyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(3-nitropyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(3-nitropyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(3-nitro-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(3-nitropyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(3-nitropyrazol-1-yl)methyl]benzoic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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