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

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

CCCCNC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCNC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

InChI

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