1-[4-(2-ethylsulfonylethoxy)-3-nitro-phenyl]-N-methyl-methanamine

Systemtic Name: 1-[4-(2-ethylsulfonylethoxy)-3-nitro-phenyl]-N-methyl-methanamine Openeye Name: 1-[4-(2-ethylsulfonylethoxy)-3-nitro-phenyl]-N-methyl-methanamine CAS Name: 1-[4-(2-ethylsulfonylethoxy)-3-nitrophenyl]-N-methylmethanamine IUPAC Name: 1-[4-(2-ethylsulfonylethoxy)-3-nitrophenyl]-N-methylmethanamine Traditional Name: [4-(2-esylethoxy)-3-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)CNC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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