(E)-N1'-[(6-chloranylpyridin-3-yl)methyl]-N1'-ethyl-N1-methyl-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-[(6-chloranylpyridin-3-yl)methyl]-N1'-ethyl-N1-methyl-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-[(6-chloro-3-pyridyl)methyl]-N1'-ethyl-N1-methyl-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-[(6-chloro-3-pyridinyl)methyl]-N1'-ethyl-N1-methyl-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-[(6-chloropyridin-3-yl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine Traditional Name: (6-chloro-3-pyridyl)methyl-ethyl-[(E)-1-(methylamino)-2-nitro-vinyl]amine Formula: C22H30Cl2N8O4 MolecularWeight: 541.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC.CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC

Isomeric SMILES

CCN(/C(=C/[N+](=O)[O-])/NC)CC1=CN=C(C=C1)Cl.CCN(/C(=C/[N+](=O)[O-])/NC)CC1=CN=C(C=C1)Cl

InChI

InChI=1S/2C11H15ClN4O2/c2*1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h2*4-6,8,13H,3,7H2,1-2H3/b2*11-8+