5-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione

Systemtic Name: 5-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione Openeye Name: 1-[(4-nitrophenyl)methyl]-5-[(E)-2-nitrovinyl]pyrimidine-2,4-dione CAS Name: 5-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione IUPAC Name: 5-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methyl]pyrimidine-2,4-dione Traditional Name: 1-(4-nitrobenzyl)-5-[(E)-2-nitrovinyl]pyrimidine-2,4-quinone Formula: C13H10N4O6 MolecularWeight: 318.2417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=O)NC2=O)C=C[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=O)NC2=O)/C=C/[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O6/c18-12-10(5-6-16(20)21)8-15(13(19)14-12)7-9-1-3-11(4-2-9)17(22)23/h1-6,8H,7H2,(H,14,18,19)/b6-5+