2-[2-(1-bromoethyloxy)-1-nitro-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-(1-bromoethyloxy)-1-nitro-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-(1-bromoethoxy)-1-nitro-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-(1-bromoethoxy)-1-nitro-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-(1-bromoethoxy)-1-nitro-2-oxoethyl]benzoic acid Traditional Name: 2-[2-(1-bromoethoxy)-2-keto-1-nitro-ethyl]benzoic acid Formula: C11H10BrNO6 MolecularWeight: 332.1042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C(C1=CC=CC=C1C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

CC(OC(=O)C(C1=CC=CC=C1C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C11H10BrNO6/c1-6(12)19-11(16)9(13(17)18)7-4-2-3-5-8(7)10(14)15/h2-6,9H,1H3,(H,14,15)