2-methylpropyl 7-bromanyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylate

Systemtic Name: 2-methylpropyl 7-bromanyl-2-oxidanylidene-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylate Openeye Name: isobutyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylate CAS Name: 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 7-bromo-2-oxo-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylate Traditional Name: 7-bromo-2-keto-5-phenyl-3,5-dihydro-1,4-benzoxazepine-4-carboxylic acid isobutyl ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CC(=O)OC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br

Isomeric SMILES

CC(C)COC(=O)N1CC(=O)OC2=C(C1C3=CC=CC=C3)C=C(C=C2)Br

InChI

InChI=1S/C20H20BrNO4/c1-13(2)12-25-20(24)22-11-18(23)26-17-9-8-15(21)10-16(17)19(22)14-6-4-3-5-7-14/h3-10,13,19H,11-12H2,1-2H3