tert-butyl 7-(dicyanomethylidene)-1H-1,4-diazepine-4-carboxylate

Systemtic Name: tert-butyl 7-(dicyanomethylidene)-1H-1,4-diazepine-4-carboxylate Openeye Name: tert-butyl 7-(dicyanomethylene)-1H-1,4-diazepine-4-carboxylate CAS Name: 7-(dicyanomethylidene)-1H-1,4-diazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(dicyanomethylidene)-1H-1,4-diazepine-4-carboxylate Traditional Name: 7-(dicyanomethylene)-1H-1,4-diazepine-4-carboxylic acid tert-butyl ester Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC(=C(C#N)C#N)NC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC(=C(C#N)C#N)NC=C1

InChI

InChI=1S/C13H14N4O2/c1-13(2,3)19-12(18)17-6-4-11(16-5-7-17)10(8-14)9-15/h4-7,16H,1-3H3