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

Systemtic Name: 4-[[3,4-bis(oxidanylidene)cyclobuten-1-yl]-(tert-butylamino)amino]-3-chloranyl-2-methyl-benzenecarbonitrile Openeye Name: 4-[(tert-butylamino)-(3,4-dioxocyclobuten-1-yl)amino]-3-chloro-2-methyl-benzonitrile CAS Name: 4-[(tert-butylamino)-(3,4-dioxo-1-cyclobutenyl)amino]-3-chloro-2-methylbenzonitrile IUPAC Name: 4-[(tert-butylamino)-(3,4-dioxocyclobuten-1-yl)amino]-3-chloro-2-methylbenzonitrile Traditional Name: 4-[(tert-butylamino)-(3,4-diketocyclobuten-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)N(C2=CC(=O)C2=O)NC(C)(C)C)C#N

Isomeric SMILES

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

InChI

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