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

Systemtic Name: 2-[[2-(2-methylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-3-oxidanyl-benzenecarbonitrile Openeye Name: 2-[[2-(1,1-dimethylpropylamino)-3,4-dioxo-cyclobuten-1-yl]amino]-3-hydroxy-benzonitrile CAS Name: 3-hydroxy-2-[[2-(2-methylbutan-2-ylamino)-3,4-dioxo-1-cyclobutenyl]amino]benzonitrile IUPAC Name: 3-hydroxy-2-[[2-(2-methylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]benzonitrile Traditional Name: 2-[[2-(tert-amylamino)-3,4-diketo-cyclobuten-1-yl]amino]-3-hydroxy-benzonitrile Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)C1=O)NC2=C(C=CC=C2O)C#N

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)C1=O)NC2=C(C=CC=C2O)C#N

InChI

InChI=1S/C16H17N3O3/c1-4-16(2,3)19-13-12(14(21)15(13)22)18-11-9(8-17)6-5-7-10(11)20/h5-7,18-20H,4H2,1-3H3