3-[7-bromanyl-1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[7-bromanyl-1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]pyrrolidine-1-carboxylic acid Openeye Name: 3-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)pyrrolidine-1-carboxylic acid CAS Name: 3-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)-1-pyrrolidinecarboxylic acid IUPAC Name: 3-(7-bromo-1,3-dioxo-4H-isoquinolin-2-yl)pyrrolidine-1-carboxylic acid Traditional Name: 3-(7-bromo-1,3-diketo-4H-isoquinolin-2-yl)pyrrolidine-1-carboxylic acid Formula: C14H13BrN2O4 MolecularWeight: 353.16802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2C(=O)CC3=C(C2=O)C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CN(CC1N2C(=O)CC3=C(C2=O)C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O4/c15-9-2-1-8-5-12(18)17(13(19)11(8)6-9)10-3-4-16(7-10)14(20)21/h1-2,6,10H,3-5,7H2,(H,20,21)