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

Systemtic Name: 4-[2-(3,3-dimethylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]benzenecarbonitrile Openeye Name: 4-[3,4-dioxo-2-(1,2,2-trimethylpropylamino)cyclobuten-1-yl]benzonitrile CAS Name: 4-[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxo-1-cyclobutenyl]benzonitrile IUPAC Name: 4-[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]benzonitrile Traditional Name: 4-[3,4-diketo-2-(1,2,2-trimethylpropylamino)cyclobuten-1-yl]benzonitrile Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2/c1-10(17(2,3)4)19-14-13(15(20)16(14)21)12-7-5-11(9-18)6-8-12/h5-8,10,19H,1-4H3