3-[[[2-(tert-butylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]-5-methyl-benzenecarbonitrile

Systemtic Name: 3-[[[2-(tert-butylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]-5-methyl-benzenecarbonitrile Openeye Name: 3-[[[2-(tert-butylamino)-3,4-dioxo-cyclobuten-1-yl]amino]methyl]-5-methyl-benzonitrile CAS Name: 3-[[[2-(tert-butylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]-5-methylbenzonitrile IUPAC Name: 3-[[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]-5-methylbenzonitrile Traditional Name: 3-[[[2-(tert-butylamino)-3,4-diketo-cyclobuten-1-yl]amino]methyl]-5-methyl-benzonitrile Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#N)CNC2=C(C(=O)C2=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C#N)CNC2=C(C(=O)C2=O)NC(C)(C)C

InChI

InChI=1S/C17H19N3O2/c1-10-5-11(8-18)7-12(6-10)9-19-13-14(16(22)15(13)21)20-17(2,3)4/h5-7,19-20H,9H2,1-4H3