3-(3-azanyl-1H-isoquinolin-2-yl)benzoic acid bromide

Systemtic Name: 3-(3-azanyl-1H-isoquinolin-2-yl)benzoic acid bromide Openeye Name: 3-(3-amino-1H-isoquinolin-2-yl)benzoic acid bromide CAS Name: 3-(3-amino-1H-isoquinolin-2-yl)benzoic acid bromide IUPAC Name: 3-(3-amino-1H-isoquinolin-2-yl)benzoic acid bromide Traditional Name: 3-(3-amino-1H-isoquinolin-2-yl)benzoic acid bromide Formula: C16H14BrN2O2- MolecularWeight: 346.19856

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C=C(N1C3=CC=CC(=C3)C(=O)O)N.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C=C(N1C3=CC=CC(=C3)C(=O)O)N.[Br-]

InChI

InChI=1S/C16H14N2O2.BrH/c17-15-9-11-4-1-2-5-13(11)10-18(15)14-7-3-6-12(8-14)16(19)20;/h1-9H,10,17H2,(H,19,20);1H/p-1