3-[[(1-bromanylisoquinolin-3-yl)amino]-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[(1-bromanylisoquinolin-3-yl)amino]-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-methoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[(1-bromo-3-isoquinolyl)amino]-(3-hydroxy-3-oxo-propanoyl)oxy-methoxy]-3-oxo-propanoic acid CAS Name: 3-[[(1-bromo-3-isoquinolinyl)amino]-(3-hydroxy-1,3-dioxopropoxy)methoxy]-3-oxopropanoic acid IUPAC Name: 3-[[(1-bromoisoquinolin-3-yl)amino]-(3-hydroxy-3-oxopropanoyl)oxymethoxy]-3-oxopropanoic acid Traditional Name: 3-[[(1-bromo-3-isoquinolyl)amino]-(3-hydroxy-3-keto-propanoyl)oxy-methoxy]-3-keto-propionic acid Formula: C16H13BrN2O8 MolecularWeight: 441.18702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2Br)NC(OC(=O)CC(=O)O)OC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2Br)NC(OC(=O)CC(=O)O)OC(=O)CC(=O)O

InChI

InChI=1S/C16H13BrN2O8/c17-15-9-4-2-1-3-8(9)5-10(18-15)19-16(26-13(24)6-11(20)21)27-14(25)7-12(22)23/h1-5,16H,6-7H2,(H,18,19)(H,20,21)(H,22,23)