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

Systemtic Name: 4-[[[2-(tert-butylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[2-(tert-butylamino)-3,4-dioxo-cyclobuten-1-yl]amino]methyl]benzonitrile CAS Name: 4-[[[2-(tert-butylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[2-(tert-butylamino)-3,4-diketo-cyclobuten-1-yl]amino]methyl]benzonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)NC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3O2/c1-16(2,3)19-13-12(14(20)15(13)21)18-9-11-6-4-10(8-17)5-7-11/h4-7,18-19H,9H2,1-3H3