(2-chloranyl-4-nitro-phenyl)-isothiocyanato-methanone

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-isothiocyanato-methanone Openeye Name: 2-chloro-4-nitro-benzoyl isothiocyanate CAS Name: (2-chloro-4-nitrophenyl)-isothiocyanatomethanone IUPAC Name: 2-chloro-4-nitrobenzoyl isothiocyanate Traditional Name: (2-chloro-4-nitro-phenyl)-isothiocyanato-methanone Formula: C8H3ClN2O3S MolecularWeight: 242.63902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N=C=S

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N=C=S

InChI

InChI=1S/C8H3ClN2O3S/c9-7-3-5(11(13)14)1-2-6(7)8(12)10-4-15/h1-3H