4-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 4-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-4-(2,6-difluorobenzyl)-2-ethyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C19H16BrF2NO4 MolecularWeight: 440.235446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC3=C(C=CC=C3F)F

Isomeric SMILES

CCC1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C19H16BrF2NO4/c1-2-15-18(24)23(9-12-13(21)4-3-5-14(12)22)17(19(25)26)11-8-10(20)6-7-16(11)27-15/h3-8,15,17H,2,9H2,1H3,(H,25,26)