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

Systemtic Name: (E)-N1-(2,2-dimethylpropyl)-2-nitro-N1'-pyridin-3-yl-ethene-1,1-diamine Openeye Name: (E)-N1-(2,2-dimethylpropyl)-2-nitro-N1'-(3-pyridyl)ethene-1,1-diamine CAS Name: (E)-N1-(2,2-dimethylpropyl)-2-nitro-N1'-(3-pyridinyl)ethene-1,1-diamine IUPAC Name: (E)-1-N-(2,2-dimethylpropyl)-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine Traditional Name: neopentyl-[(E)-2-nitro-1-(3-pyridylamino)vinyl]amine Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O2/c1-12(2,3)9-14-11(8-16(17)18)15-10-5-4-6-13-7-10/h4-8,14-15H,9H2,1-3H3/b11-8+