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

Systemtic Name: 4-[[2-(tert-butylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]-3-chloranyl-2-methyl-benzenecarbonitrile Openeye Name: 4-[[2-(tert-butylamino)-3,4-dioxo-cyclobuten-1-yl]amino]-3-chloro-2-methyl-benzonitrile CAS Name: 4-[[2-(tert-butylamino)-3,4-dioxo-1-cyclobutenyl]amino]-3-chloro-2-methylbenzonitrile IUPAC Name: 4-[[2-(tert-butylamino)-3,4-dioxocyclobuten-1-yl]amino]-3-chloro-2-methylbenzonitrile Traditional Name: 4-[[2-(tert-butylamino)-3,4-diketo-cyclobuten-1-yl]amino]-3-chloro-2-methyl-benzonitrile Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)NC2=C(C(=O)C2=O)NC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1Cl)NC2=C(C(=O)C2=O)NC(C)(C)C)C#N

InChI

InChI=1S/C16H16ClN3O2/c1-8-9(7-18)5-6-10(11(8)17)19-12-13(15(22)14(12)21)20-16(2,3)4/h5-6,19-20H,1-4H3