N-[2-(chloromethyl)-4-nitro-phenyl]-N-methyl-thiolan-3-amine

Systemtic Name: N-[2-(chloromethyl)-4-nitro-phenyl]-N-methyl-thiolan-3-amine Openeye Name: N-[2-(chloromethyl)-4-nitro-phenyl]-N-methyl-tetrahydrothiophen-3-amine CAS Name: N-[2-(chloromethyl)-4-nitrophenyl]-N-methyl-3-thiolanamine IUPAC Name: N-[2-(chloromethyl)-4-nitrophenyl]-N-methylthiolan-3-amine Traditional Name: [2-(chloromethyl)-4-nitro-phenyl]-methyl-tetrahydrothiophen-3-yl-amine Formula: C12H15ClN2O2S MolecularWeight: 286.7777

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=C(C=C(C=C2)[N+](=O)[O-])CCl

Isomeric SMILES

CN(C1CCSC1)C2=C(C=C(C=C2)[N+](=O)[O-])CCl

InChI

InChI=1S/C12H15ClN2O2S/c1-14(11-4-5-18-8-11)12-3-2-10(15(16)17)6-9(12)7-13/h2-3,6,11H,4-5,7-8H2,1H3