1-[2-(2-ethylsulfonylethoxy)-5-nitro-phenyl]-N-methyl-methanamine

Systemtic Name: 1-[2-(2-ethylsulfonylethoxy)-5-nitro-phenyl]-N-methyl-methanamine Openeye Name: 1-[2-(2-ethylsulfonylethoxy)-5-nitro-phenyl]-N-methyl-methanamine CAS Name: 1-[2-(2-ethylsulfonylethoxy)-5-nitrophenyl]-N-methylmethanamine IUPAC Name: 1-[2-(2-ethylsulfonylethoxy)-5-nitrophenyl]-N-methylmethanamine Traditional Name: [2-(2-esylethoxy)-5-nitro-benzyl]-methyl-amine Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC

Isomeric SMILES

CCS(=O)(=O)CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC

InChI

InChI=1S/C12H18N2O5S/c1-3-20(17,18)7-6-19-12-5-4-11(14(15)16)8-10(12)9-13-2/h4-5,8,13H,3,6-7,9H2,1-2H3