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

Systemtic Name: (2E)-2-[(2Z)-2-(3-chloranyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-nitro-6-oxidanyl-1H-pyrimidin-4-one Openeye Name: (2E)-2-[(2Z)-2-(3-chloro-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one CAS Name: (2E)-2-[(2Z)-2-(3-chloro-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one IUPAC Name: (2E)-2-[(2Z)-2-(3-chloro-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one Traditional Name: (2E)-2-[(2Z)-2-(3-chloro-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one Formula: C13H10ClN3O6 MolecularWeight: 339.688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C2NC(=C(C(=O)N2)[N+](=O)[O-])O)C=C(C1=O)Cl

Isomeric SMILES

COC1=C/C(=C/C=C/2\NC(=C(C(=O)N2)[N+](=O)[O-])O)/C=C(C1=O)Cl

InChI

InChI=1S/C13H10ClN3O6/c1-23-8-5-6(4-7(14)11(8)18)2-3-9-15-12(19)10(17(21)22)13(20)16-9/h2-5,15,19H,1H3,(H,16,20)/b6-2+,9-3+