2-[6-bromanyl-4-methoxycarbonyl-2-methyl-1,3-bis(oxidanylidene)isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[6-bromanyl-4-methoxycarbonyl-2-methyl-1,3-bis(oxidanylidene)isoquinolin-4-yl]ethanoic acid Openeye Name: 2-(6-bromo-4-methoxycarbonyl-2-methyl-1,3-dioxo-4-isoquinolyl)acetic acid CAS Name: 2-(6-bromo-4-methoxycarbonyl-2-methyl-1,3-dioxo-4-isoquinolinyl)acetic acid IUPAC Name: 2-(6-bromo-4-methoxycarbonyl-2-methyl-1,3-dioxoisoquinolin-4-yl)acetic acid Traditional Name: 2-(6-bromo-4-carbomethoxy-1,3-diketo-2-methyl-4-isoquinolyl)acetic acid Formula: C14H12BrNO6 MolecularWeight: 370.15218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)O)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)Br)C(C1=O)(CC(=O)O)C(=O)OC

InChI

InChI=1S/C14H12BrNO6/c1-16-11(19)8-4-3-7(15)5-9(8)14(12(16)20,6-10(17)18)13(21)22-2/h3-5H,6H2,1-2H3,(H,17,18)