7-bromanyl-4-(furan-2-ylmethyl)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-4-(furan-2-ylmethyl)-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-4-(2-furylmethyl)-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-(2-furanylmethyl)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-(furan-2-ylmethyl)-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-4-(2-furfuryl)-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C18H18BrNO5 MolecularWeight: 408.24322

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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=CO3

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CC3=CC=CO3

InChI

InChI=1S/C18H18BrNO5/c1-10(2)16-17(21)20(9-12-4-3-7-24-12)15(18(22)23)13-8-11(19)5-6-14(13)25-16/h3-8,10,15-16H,9H2,1-2H3,(H,22,23)