tert-butyl 3-azanyl-7,7-dimethyl-2-oxidanylidene-1H-azepine-4-carboxylate

Systemtic Name: tert-butyl 3-azanyl-7,7-dimethyl-2-oxidanylidene-1H-azepine-4-carboxylate Openeye Name: tert-butyl 3-amino-7,7-dimethyl-2-oxo-1H-azepine-4-carboxylate CAS Name: 3-amino-7,7-dimethyl-2-oxo-1H-azepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-7,7-dimethyl-2-oxo-1H-azepine-4-carboxylate Traditional Name: 3-amino-2-keto-7,7-dimethyl-1H-azepine-4-carboxylic acid tert-butyl ester Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=C(C(=O)N1)N)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C=CC(=C(C(=O)N1)N)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H20N2O3/c1-12(2,3)18-11(17)8-6-7-13(4,5)15-10(16)9(8)14/h6-7H,14H2,1-5H3,(H,15,16)