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

Systemtic Name: methyl 2-(2-azanyl-2-oxidanylidene-ethyl)-4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-amino-2-oxo-ethyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(2-amino-2-oxoethyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-amino-2-oxoethyl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(2-amino-2-keto-ethyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C23H23BrN2O8 MolecularWeight: 535.34132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CC(=O)N)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CC(=O)N)C(=O)OC)Br)OC

InChI

InChI=1S/C23H23BrN2O8/c1-30-15-8-12-13(9-16(15)31-2)22(28)26(10-18(25)27)20(23(29)34-5)19(12)11-6-14(24)21(33-4)17(7-11)32-3/h6-9H,10H2,1-5H3,(H2,25,27)