6-bromanyl-1-oxidanylidene-4-phenyl-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2H-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2H-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2H-isoquinoline-3-carboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2H-isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2H-isoquinoline-3-carboxylic acid Formula: C16H10BrNO3 MolecularWeight: 344.1595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(NC(=O)C3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(NC(=O)C3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H10BrNO3/c17-10-6-7-11-12(8-10)13(9-4-2-1-3-5-9)14(16(20)21)18-15(11)19/h1-8H,(H,18,19)(H,20,21)