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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=CNCC1=CN=CC=C1)[N+](=O)[O-])(OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4/c1-12(19-2,20-3)15-11(16(17)18)9-14-8-10-5-4-6-13-7-10/h4-7,9,14-15H,8H2,1-3H3/b11-9+