(2E)-5-nitro-6-oxidanyl-2-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-pyrimidin-4-one

Systemtic Name: (2E)-5-nitro-6-oxidanyl-2-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1H-pyrimidin-4-one Openeye Name: (2E)-6-hydroxy-2-[(2Z)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-nitro-1H-pyrimidin-4-one CAS Name: (2E)-6-hydroxy-2-[(2Z)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-5-nitro-1H-pyrimidin-4-one IUPAC Name: (2E)-6-hydroxy-2-[(2Z)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-5-nitro-1H-pyrimidin-4-one Traditional Name: (2E)-6-hydroxy-2-[(2Z)-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-nitro-1H-pyrimidin-4-one Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=CC=C2NC(=C(C(=O)N2)[N+](=O)[O-])O)O

Isomeric SMILES

C\1=CC(=O)C(=C/C1=C\C=C\2/NC(=C(C(=O)N2)[N+](=O)[O-])O)O

InChI

InChI=1S/C12H9N3O6/c16-7-3-1-6(5-8(7)17)2-4-9-13-11(18)10(15(20)21)12(19)14-9/h1-5,13,17-18H,(H,14,19)/b6-2-,9-4+