2-chloranyl-1-isothiocyanato-3-nitro-benzene

Systemtic Name: 2-chloranyl-1-isothiocyanato-3-nitro-benzene Openeye Name: 2-chloro-1-isothiocyanato-3-nitro-benzene CAS Name: 2-chloro-1-isothiocyanato-3-nitrobenzene IUPAC Name: 2-chloro-1-isothiocyanato-3-nitrobenzene Traditional Name: 2-chloro-1-isothiocyanato-3-nitro-benzene Formula: C7H3ClN2O2S MolecularWeight: 214.62892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H3ClN2O2S/c8-7-5(9-4-13)2-1-3-6(7)10(11)12/h1-3H