6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-4-methoxy-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-4-methoxy-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 6,7-dichloro-1-keto-4-methoxy-2-neopentyl-isoquinoline-3-carboxylic acid Formula: C16H17Cl2NO4 MolecularWeight: 358.21648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(C2=CC(=C(C=C2C1=O)Cl)Cl)OC)C(=O)O

Isomeric SMILES

CC(C)(C)CN1C(=C(C2=CC(=C(C=C2C1=O)Cl)Cl)OC)C(=O)O

InChI

InChI=1S/C16H17Cl2NO4/c1-16(2,3)7-19-12(15(21)22)13(23-4)8-5-10(17)11(18)6-9(8)14(19)20/h5-6H,7H2,1-4H3,(H,21,22)