3-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]benzenecarbonitrile Openeye Name: 3-[[3,4-dioxo-2-(1,2,2-trimethylpropylamino)cyclobuten-1-yl]amino]benzonitrile CAS Name: 3-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxo-1-cyclobutenyl]amino]benzonitrile IUPAC Name: 3-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]benzonitrile Traditional Name: 3-[[3,4-diketo-2-(1,2,2-trimethylpropylamino)cyclobuten-1-yl]amino]benzonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC1=C(C(=O)C1=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C(C)(C)C)NC1=C(C(=O)C1=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H19N3O2/c1-10(17(2,3)4)19-13-14(16(22)15(13)21)20-12-7-5-6-11(8-12)9-18/h5-8,10,19-20H,1-4H3