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

Systemtic Name: 4-[[3,4-bis(oxidanylidene)-2-[(phenylmethyl)amino]cyclobuten-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-(benzylamino)-3,4-dioxo-cyclobuten-1-yl]amino]benzonitrile CAS Name: 4-[[3,4-dioxo-2-[(phenylmethyl)amino]-1-cyclobutenyl]amino]benzonitrile IUPAC Name: 4-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]benzonitrile Traditional Name: 4-[[2-(benzylamino)-3,4-diketo-cyclobuten-1-yl]amino]benzonitrile Formula: C18H13N3O2 MolecularWeight: 303.31472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=O)C2=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=O)C2=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O2/c19-10-12-6-8-14(9-7-12)21-16-15(17(22)18(16)23)20-11-13-4-2-1-3-5-13/h1-9,20-21H,11H2