7-bromanyl-4-[(2-chlorophenyl)methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-4-[(2-chlorophenyl)methyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-4-[(2-chlorophenyl)methyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-[(2-chlorophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-[(2-chlorophenyl)methyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-4-(2-chlorobenzyl)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H19BrClNO4 MolecularWeight: 452.72616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H19BrClNO4/c1-11(2)18-19(24)23(10-12-5-3-4-6-15(12)22)17(20(25)26)14-9-13(21)7-8-16(14)27-18/h3-9,11,17-18H,10H2,1-2H3,(H,25,26)