4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]benzaldehyde

Systemtic Name: 4-[(E)-2-[5-nitro-2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]ethenyl]benzaldehyde Openeye Name: 4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)vinyl]benzaldehyde CAS Name: 4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzaldehyde IUPAC Name: 4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzaldehyde Traditional Name: 4-[(E)-2-(2,4-diketo-5-nitro-1H-pyrimidin-6-yl)vinyl]benzaldehyde Formula: C13H9N3O5 MolecularWeight: 287.22766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=C(C(=O)NC(=O)N2)[N+](=O)[O-])C=O

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])C=O

InChI

InChI=1S/C13H9N3O5/c17-7-9-3-1-8(2-4-9)5-6-10-11(16(20)21)12(18)15-13(19)14-10/h1-7H,(H2,14,15,18,19)/b6-5+