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

Systemtic Name: 4-[[[2-azanyl-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(2-amino-3,4-dioxo-cyclobuten-1-yl)amino]methyl]benzonitrile CAS Name: 4-[[(2-amino-3,4-dioxo-1-cyclobutenyl)amino]methyl]benzonitrile IUPAC Name: 4-[[(2-amino-3,4-dioxocyclobuten-1-yl)amino]methyl]benzonitrile Traditional Name: 4-[[(2-amino-3,4-diketo-cyclobuten-1-yl)amino]methyl]benzonitrile Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C(=O)C2=O)N)C#N

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C(=O)C2=O)N)C#N

InChI

InChI=1S/C12H9N3O2/c13-5-7-1-3-8(4-2-7)6-15-10-9(14)11(16)12(10)17/h1-4,15H,6,14H2