6-bromanyl-2-(methylamino)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(methylamino)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-(methylamino)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(methylamino)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(methylamino)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-(methylamino)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CNN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H13BrN2O3/c1-19-20-15(17(22)23)14(10-5-3-2-4-6-10)13-9-11(18)7-8-12(13)16(20)21/h2-9,19H,1H3,(H,22,23)