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

Systemtic Name: (4Z)-2-tert-butyl-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonato-ethylidene]-6-methyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-2-tert-butyl-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonato-ethylidene]-6-methyl-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-2-tert-butyl-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonatoethylidene]-6-methyl-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-2-tert-butyl-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonatoethylidene]-6-methylcyclohexa-2,5-dien-1-one Traditional Name: (4Z)-2-tert-butyl-4-[(2E)-2-(1,4-dihydropyrazin-2-ylimino)-1-phosphonato-ethylidene]-6-methyl-cyclohexa-2,5-dien-1-one Formula: C17H20N3O4P-2 MolecularWeight: 361.332161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N3O4P/c1-11-7-12(8-13(16(11)21)17(2,3)4)14(25(22,23)24)9-20-15-10-18-5-6-19-15/h5-10,18-19H,1-4H3,(H2,22,23,24)/p-2/b14-12-,20-9+