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

Systemtic Name: 4-[[[2-(methylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[2-(methylamino)-3,4-dioxo-cyclobuten-1-yl]amino]methyl]benzonitrile CAS Name: 4-[[[2-(methylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[2-(methylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[3,4-diketo-2-(methylamino)cyclobuten-1-yl]amino]methyl]benzonitrile Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CNC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3O2/c1-15-10-11(13(18)12(10)17)16-7-9-4-2-8(6-14)3-5-9/h2-5,15-16H,7H2,1H3