7-chloranyl-4-methoxy-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-4-methoxy-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 7-chloro-4-methoxy-2-methyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 7-chloro-4-methoxy-2-methyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 7-chloro-4-methoxy-2-methyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 7-chloro-1-keto-4-methoxy-2-methyl-isoquinoline-3-carboxylic acid Formula: C12H10ClNO4 MolecularWeight: 267.6651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO4/c1-14-9(12(16)17)10(18-2)7-4-3-6(13)5-8(7)11(14)15/h3-5H,1-2H3,(H,16,17)