[2-[(3E)-5-tert-butyl-3-(1,4-dihydropyrazin-2-ylimino)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-2-methyl-propyl] ethanoate

Systemtic Name: [2-[(3E)-5-tert-butyl-3-(1,4-dihydropyrazin-2-ylimino)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-2-methyl-propyl] ethanoate Openeye Name: [2-[(3E)-5-tert-butyl-3-(1,4-dihydropyrazin-2-ylimino)-6-oxo-cyclohexa-1,4-dien-1-yl]-2-methyl-propyl] acetate CAS Name: acetic acid [2-[(3E)-5-tert-butyl-3-(1,4-dihydropyrazin-2-ylimino)-6-oxo-1-cyclohexa-1,4-dienyl]-2-methylpropyl] ester IUPAC Name: [2-[(3E)-5-tert-butyl-3-(1,4-dihydropyrazin-2-ylimino)-6-oxocyclohexa-1,4-dien-1-yl]-2-methylpropyl] acetate Traditional Name: acetic acid [2-[(3E)-5-tert-butyl-3-(1,4-dihydropyrazin-2-ylimino)-6-keto-cyclohexa-1,4-dien-1-yl]-2-methyl-propyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C)(C)C1=CC(=NC2=CNC=CN2)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(=O)OCC(C)(C)C1=C/C(=N/C2=CNC=CN2)/C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C20H27N3O3/c1-13(24)26-12-20(5,6)16-10-14(23-17-11-21-7-8-22-17)9-15(18(16)25)19(2,3)4/h7-11,21-22H,12H2,1-6H3/b23-14+