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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-3-5-8-20-15-16(18(23)17(15)22)21-11-14-7-6-12(10-19)9-13(14)4-2/h6-7,9,20-21H,3-5,8,11H2,1-2H3