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

Systemtic Name: 4-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[3,4-dioxo-2-(1,2,2-trimethylpropylamino)cyclobuten-1-yl]methyl]benzonitrile CAS Name: 4-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxo-1-cyclobutenyl]methyl]benzonitrile IUPAC Name: 4-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]methyl]benzonitrile Traditional Name: 4-[[3,4-diketo-2-(1,2,2-trimethylpropylamino)cyclobuten-1-yl]methyl]benzonitrile Formula: C18H20N2O2 MolecularWeight: 296.3636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC1=C(C(=O)C1=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(C)(C)C)NC1=C(C(=O)C1=O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20N2O2/c1-11(18(2,3)4)20-15-14(16(21)17(15)22)9-12-5-7-13(10-19)8-6-12/h5-8,11,20H,9H2,1-4H3