3-azanylidene-5-tert-butyl-isoindol-1-amine ethanoate

Systemtic Name: 3-azanylidene-5-tert-butyl-isoindol-1-amine ethanoate Openeye Name: 5-tert-butyl-3-imino-isoindol-1-amine acetate CAS Name: 5-tert-butyl-3-imino-1-isoindolamine acetate IUPAC Name: 5-tert-butyl-3-iminoisoindol-1-amine acetate Traditional Name: (5-tert-butyl-3-imino-isoindol-1-yl)amine acetate Formula: C14H18N3O2- MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N

Isomeric SMILES

CC(=O)[O-].CC(C)(C)C1=CC2=C(C=C1)C(=NC2=N)N

InChI

InChI=1S/C12H15N3.C2H4O2/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13;1-2(3)4/h4-6H,1-3H3,(H3,13,14,15);1H3,(H,3,4)/p-1