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

Systemtic Name: (2E)-2-[(2E)-2-(3-methoxy-4-oxidanylidene-5-prop-2-enyl-cyclohexa-2,5-dien-1-ylidene)ethylidene]-5-nitro-6-oxidanyl-1H-pyrimidin-4-one Openeye Name: (2E)-2-[(2E)-2-(3-allyl-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one CAS Name: (2E)-6-hydroxy-2-[(2E)-2-(3-methoxy-4-oxo-5-prop-2-enyl-1-cyclohexa-2,5-dienylidene)ethylidene]-5-nitro-1H-pyrimidin-4-one IUPAC Name: (2E)-6-hydroxy-2-[(2E)-2-(3-methoxy-4-oxo-5-prop-2-enylcyclohexa-2,5-dien-1-ylidene)ethylidene]-5-nitro-1H-pyrimidin-4-one Traditional Name: (2E)-2-[(2E)-2-(3-allyl-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)ethylidene]-6-hydroxy-5-nitro-1H-pyrimidin-4-one Formula: C16H15N3O6 MolecularWeight: 345.3068

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6/c1-3-4-10-7-9(8-11(25-2)14(10)20)5-6-12-17-15(21)13(19(23)24)16(22)18-12/h3,5-8,17,21H,1,4H2,2H3,(H,18,22)/b9-5+,12-6+