(2Z)-2-(nitromethylidene)-1-[(4-nitrophenyl)methyl]-1,3-diazinane

Systemtic Name: (2Z)-2-(nitromethylidene)-1-[(4-nitrophenyl)methyl]-1,3-diazinane Openeye Name: (2Z)-2-(nitromethylene)-1-[(4-nitrophenyl)methyl]hexahydropyrimidine CAS Name: (2Z)-2-(nitromethylidene)-1-[(4-nitrophenyl)methyl]-1,3-diazinane IUPAC Name: (2Z)-2-(nitromethylidene)-1-[(4-nitrophenyl)methyl]-1,3-diazinane Traditional Name: (2Z)-1-(4-nitrobenzyl)-2-(nitromethylene)hexahydropyrimidine Formula: C12H14N4O4 MolecularWeight: 278.26396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C[N+](=O)[O-])N(C1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN/C(=C/[N+](=O)[O-])/N(C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O4/c17-15(18)9-12-13-6-1-7-14(12)8-10-2-4-11(5-3-10)16(19)20/h2-5,9,13H,1,6-8H2/b12-9-