cyanomethyl 5-chloranyl-2-nitro-benzoate

Systemtic Name: cyanomethyl 5-chloranyl-2-nitro-benzoate Openeye Name: cyanomethyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid cyanomethyl ester Formula: C9H5ClN2O4 MolecularWeight: 240.6

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H5ClN2O4/c10-6-1-2-8(12(14)15)7(5-6)9(13)16-4-3-11/h1-2,5H,4H2