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

Systemtic Name: 4-[[[2-(butan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[3,4-dioxo-2-(sec-butylamino)cyclobuten-1-yl]amino]methyl]benzonitrile CAS Name: 4-[[[2-(butan-2-ylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[2-(butan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[3,4-diketo-2-(sec-butylamino)cyclobuten-1-yl]amino]methyl]benzonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(C)NC1=C(C(=O)C1=O)NCC2=CC=C(C=C2)C#N

InChI

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