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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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