cyanomethyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-bromanyl-3-nitro-benzoate Openeye Name: cyanomethyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid cyanomethyl ester Formula: C9H5BrN2O4 MolecularWeight: 285.051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5BrN2O4/c10-7-2-1-6(5-8(7)12(14)15)9(13)16-4-3-11/h1-2,5H,4H2