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

Systemtic Name: 7-bromanyl-4-[2-(4-nitrophenyl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-4-[2-(4-nitrophenyl)ethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-4-[2-(4-nitrophenyl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-4-[2-(4-nitrophenyl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-4-[2-(4-nitrophenyl)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C21H21BrN2O6 MolecularWeight: 477.30524

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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)CCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21BrN2O6/c1-12(2)19-20(25)23(10-9-13-3-6-15(7-4-13)24(28)29)18(21(26)27)16-11-14(22)5-8-17(16)30-19/h3-8,11-12,18-19H,9-10H2,1-2H3,(H,26,27)