N-methylmethanamine; (E)-N1-methyl-N1'-[4-(3-methylphenoxy)butyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: N-methylmethanamine; (E)-N1-methyl-N1'-[4-(3-methylphenoxy)butyl]-2-nitro-ethene-1,1-diamine Openeye Name: N-methylmethanamine; (E)-N1-methyl-N1'-[4-(3-methylphenoxy)butyl]-2-nitro-ethene-1,1-diamine CAS Name: N-methylmethanamine; (E)-N1-methyl-N1'-[4-(3-methylphenoxy)butyl]-2-nitroethene-1,1-diamine IUPAC Name: N-methylmethanamine; (E)-1-N-methyl-1-N'-[4-(3-methylphenoxy)butyl]-2-nitroethene-1,1-diamine Traditional Name: dimethylamine; methyl-[(E)-1-[4-(3-methylphenoxy)butylamino]-2-nitro-vinyl]amine Formula: C16H28N4O3 MolecularWeight: 324.41852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCCNC(=C[N+](=O)[O-])NC.CNC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCCN/C(=C/[N+](=O)[O-])/NC.CNC

InChI

InChI=1S/C14H21N3O3.C2H7N/c1-12-6-5-7-13(10-12)20-9-4-3-8-16-14(15-2)11-17(18)19;1-3-2/h5-7,10-11,15-16H,3-4,8-9H2,1-2H3;3H,1-2H3/b14-11+;