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

Systemtic Name: 6-chloranyl-2-ethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-2-ethyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-2-ethyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-2-ethyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-2-ethyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C18H14ClNO3 MolecularWeight: 327.76166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H14ClNO3/c1-2-20-16(18(22)23)15(11-6-4-3-5-7-11)14-10-12(19)8-9-13(14)17(20)21/h3-10H,2H2,1H3,(H,22,23)