7-bromanyl-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-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-4-[2-[(5-nitro-2-pyridyl)amino]ethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 7-bromo-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-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-4-[2-[(5-nitro-2-pyridyl)amino]ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C20H21BrN4O6 MolecularWeight: 493.30794

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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)CCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=C(O1)C=CC(=C2)Br)C(=O)O)CCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O6/c1-11(2)18-19(26)24(8-7-22-16-6-4-13(10-23-16)25(29)30)17(20(27)28)14-9-12(21)3-5-15(14)31-18/h3-6,9-11,17-18H,7-8H2,1-2H3,(H,22,23)(H,27,28)