1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)vinyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(E)-2-(3-nitrophenyl)vinyl]-7H-purine-2,6-quinone Formula: C15H13N5O4 MolecularWeight: 327.29482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4/c1-18-13-12(14(21)19(2)15(18)22)16-11(17-13)7-6-9-4-3-5-10(8-9)20(23)24/h3-8H,1-2H3,(H,16,17)/b7-6+