2-[4-tert-butyl-2,5-bis(oxidanylidene)-1H-1,3,4-benzotriazepin-3-yl]ethanenitrile

Systemtic Name: 2-[4-tert-butyl-2,5-bis(oxidanylidene)-1H-1,3,4-benzotriazepin-3-yl]ethanenitrile Openeye Name: 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetonitrile CAS Name: 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetonitrile IUPAC Name: 2-(4-tert-butyl-2,5-dioxo-1H-1,3,4-benzotriazepin-3-yl)acetonitrile Traditional Name: 2-(4-tert-butyl-2,5-diketo-1H-1,3,4-benzotriazepin-3-yl)acetonitrile Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1CC#N

Isomeric SMILES

CC(C)(C)N1C(=O)C2=CC=CC=C2NC(=O)N1CC#N

InChI

InChI=1S/C14H16N4O2/c1-14(2,3)18-12(19)10-6-4-5-7-11(10)16-13(20)17(18)9-8-15/h4-7H,9H2,1-3H3,(H,16,20)