7-bromanyl-9-methoxy-4-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 7-bromanyl-9-methoxy-4-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 7-bromo-2-isopropyl-9-methoxy-4-[2-[(5-nitro-2-pyridyl)amino]ethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-9-methoxy-4-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 7-bromo-9-methoxy-4-[2-[(5-nitropyridin-2-yl)amino]ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 7-bromo-2-isopropyl-3-keto-9-methoxy-4-[2-[(5-nitro-2-pyridyl)amino]ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C21H23BrN4O7 MolecularWeight: 523.33392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)O)CCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC(=CC(=C2O1)OC)Br)C(=O)O)CCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN4O7/c1-11(2)18-20(27)25(7-6-23-16-5-4-13(10-24-16)26(30)31)17(21(28)29)14-8-12(22)9-15(32-3)19(14)33-18/h4-5,8-11,17-18H,6-7H2,1-3H3,(H,23,24)(H,28,29)