4-[(E)-2-[5-nitro-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl]ethenyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-[5-nitro-2,6-bis(oxidanylidene)-1,3-diazinan-4-yl]ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-(5-nitro-2,6-dioxo-hexahydropyrimidin-4-yl)vinyl]benzonitrile CAS Name: 4-[(E)-2-(5-nitro-2,6-dioxo-1,3-diazinan-4-yl)ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-(5-nitro-2,6-dioxo-1,3-diazinan-4-yl)ethenyl]benzonitrile Traditional Name: 4-[(E)-2-(2,6-diketo-5-nitro-hexahydropyrimidin-4-yl)vinyl]benzonitrile Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2C(C(=O)NC(=O)N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2C(C(=O)NC(=O)N2)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H10N4O4/c14-7-9-3-1-8(2-4-9)5-6-10-11(17(20)21)12(18)16-13(19)15-10/h1-6,10-11H,(H2,15,16,18,19)/b6-5+