O1-tert-butyl O4-methyl 7-bromanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-methyl 7-bromanyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepine-1,4-dicarboxylate Openeye Name: O1-tert-butyl O4-methyl 7-bromo-5-oxo-3,4-dihydro-2H-1-benzazepine-1,4-dicarboxylate CAS Name: 7-bromo-5-oxo-3,4-dihydro-2H-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester IUPAC Name: 1-O-tert-butyl 4-O-methyl 7-bromo-5-oxo-3,4-dihydro-2H-1-benzazepine-1,4-dicarboxylate Traditional Name: 7-bromo-5-keto-3,4-dihydro-2H-1-benzazepine-1,4-dicarboxylic acid O1-tert-butyl ester O4-methyl ester Formula: C17H20BrNO5 MolecularWeight: 398.2484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(=O)C2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(=O)C2=C1C=CC(=C2)Br)C(=O)OC

InChI

InChI=1S/C17H20BrNO5/c1-17(2,3)24-16(22)19-8-7-11(15(21)23-4)14(20)12-9-10(18)5-6-13(12)19/h5-6,9,11H,7-8H2,1-4H3