methyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(5-bromopyridine-3-carbonyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromopyridine-3-carbonyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(5-bromonicotinoyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C17H12BrN3O4 MolecularWeight: 402.19888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H12BrN3O4/c1-25-17(24)14-9-21(16(23)13-5-3-2-4-12(13)14)20-15(22)10-6-11(18)8-19-7-10/h2-9H,1H3,(H,20,22)