methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(5-methyl-1,2-oxazol-3-yl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(5-methyl-1,2-oxazol-3-yl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(5-methylisoxazol-3-yl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(5-methyl-3-isoxazolyl)-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-(5-methylisoxazol-3-yl)isoquinoline-3-carboxylic acid methyl ester Formula: C25H23BrN2O8 MolecularWeight: 559.36272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(=C(C3=CC(=C(C=C3C2=O)OC)OC)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)N2C(=C(C3=CC(=C(C=C3C2=O)OC)OC)C4=CC(=C(C(=C4)Br)OC)OC)C(=O)OC

InChI

InChI=1S/C25H23BrN2O8/c1-12-7-20(27-36-12)28-22(25(30)35-6)21(13-8-16(26)23(34-5)19(9-13)33-4)14-10-17(31-2)18(32-3)11-15(14)24(28)29/h7-11H,1-6H3