2-[(4-methoxy-3-nitro-phenyl)amino]-5-nitro-1H-pyrimidine-4,6-dione

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)amino]-5-nitro-1H-pyrimidine-4,6-dione Openeye Name: 2-(4-methoxy-3-nitro-anilino)-5-nitro-1H-pyrimidine-4,6-dione CAS Name: 2-(4-methoxy-3-nitroanilino)-5-nitro-1H-pyrimidine-4,6-dione IUPAC Name: 2-(4-methoxy-3-nitroanilino)-5-nitro-1H-pyrimidine-4,6-dione Traditional Name: 2-(4-methoxy-3-nitro-anilino)-5-nitro-1H-pyrimidine-4,6-quinone Formula: C11H9N5O7 MolecularWeight: 323.21846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=O)C(C(=O)N2)[N+](=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/h2-4,8H,1H3,(H2,12,13,14,17,18)