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

Systemtic Name: 4-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-[(2,6-difluorophenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-4-(2,6-difluorobenzyl)-3-keto-2-methyl-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C18H14BrF2NO4 MolecularWeight: 426.208866

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC3=C(C=CC=C3F)F

Isomeric SMILES

CC1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C18H14BrF2NO4/c1-9-17(23)22(8-12-13(20)3-2-4-14(12)21)16(18(24)25)11-7-10(19)5-6-15(11)26-9/h2-7,9,16H,8H2,1H3,(H,24,25)