2-nitro-5-phenethyl-benzoic acid

Systemtic Name: 2-nitro-5-phenethyl-benzoic acid Openeye Name: 2-nitro-5-phenethyl-benzoic acid CAS Name: 2-nitro-5-phenethylbenzoic acid IUPAC Name: 2-nitro-5-phenethylbenzoic acid Traditional Name: 2-nitro-5-phenethyl-benzoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4/c17-15(18)13-10-12(8-9-14(13)16(19)20)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,18)