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

Systemtic Name: methyl 6,7-bis(chloranyl)-2-(2,2-dimethylpropyl)-4-methoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-2-(2,2-dimethylpropyl)-4-methoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 6,7-dichloro-1-keto-4-methoxy-2-neopentyl-isoquinoline-3-carboxylic acid methyl ester Formula: C17H19Cl2NO4 MolecularWeight: 372.24306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19Cl2NO4/c1-17(2,3)8-20-13(16(22)24-5)14(23-4)9-6-11(18)12(19)7-10(9)15(20)21/h6-7H,8H2,1-5H3