5-(2-methoxy-5-nitro-phenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(2-methoxy-5-nitro-phenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(2-methoxy-5-nitro-phenyl)triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(2-methoxy-5-nitrophenyl)-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 5-(2-methoxy-5-nitrophenyl)triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(2-methoxy-5-nitro-phenyl)triazolo[4,5-d]pyrimidin-7-one Formula: C11H6N6O4 MolecularWeight: 286.20314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=NN=NC3=N2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=NN=NC3=N2

InChI

InChI=1S/C11H6N6O4/c1-21-7-3-2-5(17(19)20)4-6(7)9-12-10-8(11(18)13-9)14-16-15-10/h2-4H,1H3