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

Systemtic Name: 2-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-3-oxidanyl-benzenecarbonitrile Openeye Name: 2-[[3,4-dioxo-2-(1,2,2-trimethylpropylamino)cyclobuten-1-yl]amino]-3-hydroxy-benzonitrile CAS Name: 2-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxo-1-cyclobutenyl]amino]-3-hydroxybenzonitrile IUPAC Name: 2-[[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxybenzonitrile Traditional Name: 2-[[3,4-diketo-2-(1,2,2-trimethylpropylamino)cyclobuten-1-yl]amino]-3-hydroxy-benzonitrile Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c1-9(17(2,3)4)19-13-14(16(23)15(13)22)20-12-10(8-18)6-5-7-11(12)21/h5-7,9,19-21H,1-4H3