tert-butyl 3-bromanyl-2-oxidanyl-4-oxidanylidene-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxylate

Systemtic Name: tert-butyl 3-bromanyl-2-oxidanyl-4-oxidanylidene-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxylate Openeye Name: tert-butyl 3-bromo-2-hydroxy-4-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxylate CAS Name: 3-bromo-2-hydroxy-4-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-bromo-2-hydroxy-4-oxo-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepine-7-carboxylate Traditional Name: 3-bromo-2-hydroxy-4-keto-5,6,8,9-tetrahydro-1H-pyrid[2,3-d]azepine-7-carboxylic acid tert-butyl ester Formula: C14H19BrN2O4 MolecularWeight: 359.21566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)NC(=C(C2=O)Br)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)NC(=C(C2=O)Br)O

InChI

InChI=1S/C14H19BrN2O4/c1-14(2,3)21-13(20)17-6-4-8-9(5-7-17)16-12(19)10(15)11(8)18/h4-7H2,1-3H3,(H2,16,18,19)