2-[(4-methoxy-3-nitro-phenyl)amino]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)amino]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-(4-methoxy-3-nitro-anilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-(4-methoxy-3-nitroanilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-(4-methoxy-3-nitroanilino)-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 6-keto-2-(4-methoxy-3-nitro-anilino)-5-nitro-1H-pyrimidin-4-olate Formula: C11H8N5O7- MolecularWeight: 322.21052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O7/c1-23-7-3-2-5(4-6(7)15(19)20)12-11-13-9(17)8(16(21)22)10(18)14-11/h2-4H,1H3,(H3,12,13,14,17,18)/p-1