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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)C1=O)NC2=C(C(=C(C=C2)C#N)C)CC

Isomeric SMILES

CCCCNC1=C(C(=O)C1=O)NC2=C(C(=C(C=C2)C#N)C)CC

InChI

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