(4Z)-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonato-ethylidene]-2-methoxy-6-methyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonato-ethylidene]-2-methoxy-6-methyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonato-ethylidene]-2-methoxy-6-methyl-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonatoethylidene]-2-methoxy-6-methyl-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonatoethylidene]-2-methoxy-6-methylcyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonato-ethylidene]-2-methoxy-6-methyl-cyclohexa-2,5-dien-1-one Formula: C14H14N3O5P-2 MolecularWeight: 335.251821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=NC2=CNC=CN2)P(=O)([O-])[O-])C=C(C1=O)OC

Isomeric SMILES

CC1=C/C(=C(\C=N\C2=CNC=CN2)/P(=O)([O-])[O-])/C=C(C1=O)OC

InChI

InChI=1S/C14H16N3O5P/c1-9-5-10(6-11(22-2)14(9)18)12(23(19,20)21)7-17-13-8-15-3-4-16-13/h3-8,15-16H,1-2H3,(H2,19,20,21)/p-2/b12-10-,17-7+