methyl 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(5-bromo-2-chloro-benzoyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(5-bromo-2-chloro-benzoyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C18H12BrClN2O4 MolecularWeight: 435.65588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrClN2O4/c1-26-18(25)14-9-22(17(24)12-5-3-2-4-11(12)14)21-16(23)13-8-10(19)6-7-15(13)20/h2-9H,1H3,(H,21,23)