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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-7-bromanyl-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)-7-bromo-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-(2-amino-2-oxoethyl)-7-bromo-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)-7-bromo-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(2-amino-2-keto-ethyl)-7-bromo-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C15H17BrN2O5 MolecularWeight: 385.20988

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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)CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O5/c1-7(2)13-14(20)18(6-11(17)19)12(15(21)22)9-5-8(16)3-4-10(9)23-13/h3-5,7,12-13H,6H2,1-2H3,(H2,17,19)(H,21,22)