6-chloranyl-4-(3-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-4-(3-methoxyphenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6-chloro-4-(3-methoxyphenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6-chloro-4-(3-methoxyphenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6-chloro-4-(3-methoxyphenyl)-2-methyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-4-(3-methoxyphenyl)-2-methyl-isoquinoline-3-carboxylic acid Formula: C18H14ClNO4 MolecularWeight: 343.76106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO4/c1-20-16(18(22)23)15(10-4-3-5-12(8-10)24-2)14-9-11(19)6-7-13(14)17(20)21/h3-9H,1-2H3,(H,22,23)