methyl 2-[(4-bromanyl-3-methoxy-phenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(4-bromanyl-3-methoxy-phenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-bromo-3-methoxy-benzoyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(4-bromo-3-methoxyphenyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-methoxybenzoyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(4-bromo-3-methoxy-benzoyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)Br

InChI

InChI=1S/C19H15BrN2O5/c1-26-16-9-11(7-8-15(16)20)17(23)21-22-10-14(19(25)27-2)12-5-3-4-6-13(12)18(22)24/h3-10H,1-2H3,(H,21,23)