(3-bromanyl-4-methoxy-phenyl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (3-bromo-4-methoxy-benzyl) ester Formula: C18H14BrNO4 MolecularWeight: 388.21206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC3=CC=CC=C3C(=O)N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC3=CC=CC=C3C(=O)N2)Br

InChI

InChI=1S/C18H14BrNO4/c1-23-16-7-6-11(8-14(16)19)10-24-18(22)15-9-12-4-2-3-5-13(12)17(21)20-15/h2-9H,10H2,1H3,(H,20,21)