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

Systemtic Name: 4-[[2-(heptylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-(heptylamino)-3,4-dioxo-cyclobuten-1-yl]amino]benzonitrile CAS Name: 4-[[2-(heptylamino)-3,4-dioxo-1-cyclobutenyl]amino]benzonitrile IUPAC Name: 4-[[2-(heptylamino)-3,4-dioxocyclobuten-1-yl]amino]benzonitrile Traditional Name: 4-[[2-(heptylamino)-3,4-diketo-cyclobuten-1-yl]amino]benzonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C(=O)C1=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCNC1=C(C(=O)C1=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H21N3O2/c1-2-3-4-5-6-11-20-15-16(18(23)17(15)22)21-14-9-7-13(12-19)8-10-14/h7-10,20-21H,2-6,11H2,1H3