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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C(=O)C1=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(CC)NC1=C(C(=O)C1=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H17N3O2/c1-3-11(4-2)18-13-14(16(21)15(13)20)19-12-7-5-10(9-17)6-8-12/h5-8,11,18-19H,3-4H2,1-2H3