3-(5-nitrobenzotriazol-2-yl)butanoic acid

Systemtic Name: 3-(5-nitrobenzotriazol-2-yl)butanoic acid Openeye Name: 3-(5-nitrobenzotriazol-2-yl)butanoic acid CAS Name: 3-(5-nitro-2-benzotriazolyl)butanoic acid IUPAC Name: 3-(5-nitrobenzotriazol-2-yl)butanoic acid Traditional Name: 3-(5-nitrobenzotriazol-2-yl)butyric acid Formula: C10H10N4O4 MolecularWeight: 250.2108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1N=C2C=CC(=CC2=N1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)N1N=C2C=CC(=CC2=N1)[N+](=O)[O-]

InChI

InChI=1S/C10H10N4O4/c1-6(4-10(15)16)13-11-8-3-2-7(14(17)18)5-9(8)12-13/h2-3,5-6H,4H2,1H3,(H,15,16)