(E)-N1-(3,3-dimethylbutyl)-2-nitro-N1'-pyridin-3-yl-ethene-1,1-diamine

Systemtic Name: (E)-N1-(3,3-dimethylbutyl)-2-nitro-N1'-pyridin-3-yl-ethene-1,1-diamine Openeye Name: (E)-N1-(3,3-dimethylbutyl)-2-nitro-N1'-(3-pyridyl)ethene-1,1-diamine CAS Name: (E)-N1-(3,3-dimethylbutyl)-2-nitro-N1'-(3-pyridinyl)ethene-1,1-diamine IUPAC Name: (E)-1-N-(3,3-dimethylbutyl)-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine Traditional Name: 3,3-dimethylbutyl-[(E)-2-nitro-1-(3-pyridylamino)vinyl]amine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=C[N+](=O)[O-])NC1=CN=CC=C1

Isomeric SMILES

CC(C)(C)CCN/C(=C\[N+](=O)[O-])/NC1=CN=CC=C1

InChI

InChI=1S/C13H20N4O2/c1-13(2,3)6-8-15-12(10-17(18)19)16-11-5-4-7-14-9-11/h4-5,7,9-10,15-16H,6,8H2,1-3H3/b12-10+