6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C17H12ClNO3 MolecularWeight: 313.73508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H12ClNO3/c1-19-15(17(21)22)14(10-5-3-2-4-6-10)13-9-11(18)7-8-12(13)16(19)20/h2-9H,1H3,(H,21,22)