(E)-N1'-(2,2-dimethoxyethyl)-2-nitro-N1-(pyridin-3-ylmethyl)ethene-1,1-diamine

Systemtic Name: (E)-N1'-(2,2-dimethoxyethyl)-2-nitro-N1-(pyridin-3-ylmethyl)ethene-1,1-diamine Openeye Name: (E)-N1'-(2,2-dimethoxyethyl)-2-nitro-N1-(3-pyridylmethyl)ethene-1,1-diamine CAS Name: (E)-N1'-(2,2-dimethoxyethyl)-2-nitro-N1-(3-pyridinylmethyl)ethene-1,1-diamine IUPAC Name: (E)-1-N'-(2,2-dimethoxyethyl)-2-nitro-1-N-(pyridin-3-ylmethyl)ethene-1,1-diamine Traditional Name: 2,2-dimethoxyethyl-[(E)-2-nitro-1-(3-pyridylmethylamino)vinyl]amine Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=C[N+](=O)[O-])NCC1=CN=CC=C1)OC

Isomeric SMILES

COC(CN/C(=C/[N+](=O)[O-])/NCC1=CN=CC=C1)OC

InChI

InChI=1S/C12H18N4O4/c1-19-12(20-2)8-15-11(9-16(17)18)14-7-10-4-3-5-13-6-10/h3-6,9,12,14-15H,7-8H2,1-2H3/b11-9+