3-[(3,4-dinitropyrazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(3,4-dinitropyrazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(3,4-dinitropyrazol-1-yl)methyl]benzoic acid CAS Name: 3-[(3,4-dinitro-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 3-[(3,4-dinitropyrazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(3,4-dinitropyrazol-1-yl)methyl]benzoic acid Formula: C11H8N4O6 MolecularWeight: 292.20442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O6/c16-11(17)8-3-1-2-7(4-8)5-13-6-9(14(18)19)10(12-13)15(20)21/h1-4,6H,5H2,(H,16,17)