2-nitro-3-phenethyl-benzenecarboperoxoic acid

Systemtic Name: 2-nitro-3-phenethyl-benzenecarboperoxoic acid Openeye Name: 2-nitro-3-phenethyl-benzenecarboperoxoic acid CAS Name: 2-nitro-3-phenethylbenzenecarboperoxoic acid IUPAC Name: 2-nitro-3-phenethylbenzenecarboperoxoic acid Traditional Name: 2-nitro-3-phenethyl-perbenzoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC(=C2[N+](=O)[O-])C(=O)OO

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC(=C2[N+](=O)[O-])C(=O)OO

InChI

InChI=1S/C15H13NO5/c17-15(21-20)13-8-4-7-12(14(13)16(18)19)10-9-11-5-2-1-3-6-11/h1-8,20H,9-10H2