(3-methylphenyl) N-(2-chloranyl-5-nitro-phenyl)sulfanylcarbamate

Systemtic Name: (3-methylphenyl) N-(2-chloranyl-5-nitro-phenyl)sulfanylcarbamate Openeye Name: m-tolyl N-(2-chloro-5-nitro-phenyl)sulfanylcarbamate CAS Name: N-[(2-chloro-5-nitrophenyl)thio]carbamic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) N-(2-chloro-5-nitrophenyl)sulfanylcarbamate Traditional Name: N-[(2-chloro-5-nitro-phenyl)thio]carbamic acid m-tolyl ester Formula: C14H11ClN2O4S MolecularWeight: 338.76614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)NSC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)NSC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN2O4S/c1-9-3-2-4-11(7-9)21-14(18)16-22-13-8-10(17(19)20)5-6-12(13)15/h2-8H,1H3,(H,16,18)