1-(2-chloroethylsulfanyl)-3-nitro-benzene; ethyl carbamate

Systemtic Name: 1-(2-chloroethylsulfanyl)-3-nitro-benzene; ethyl carbamate Openeye Name: 1-(2-chloroethylsulfanyl)-3-nitro-benzene; ethyl carbamate CAS Name: carbamic acid ethyl ester; 1-(2-chloroethylthio)-3-nitrobenzene IUPAC Name: 1-(2-chloroethylsulfanyl)-3-nitrobenzene; ethyl carbamate Traditional Name: 1-(2-chloroethylthio)-3-nitro-benzene; urethan Formula: C11H15ClN2O4S MolecularWeight: 306.7658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N.C1=CC(=CC(=C1)SCCCl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N.C1=CC(=CC(=C1)SCCCl)[N+](=O)[O-]

InChI

InChI=1S/C8H8ClNO2S.C3H7NO2/c9-4-5-13-8-3-1-2-7(6-8)10(11)12;1-2-6-3(4)5/h1-3,6H,4-5H2;2H2,1H3,(H2,4,5)