(3S)-N-(2-bromanyl-4-methyl-phenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-(2-bromanyl-4-methyl-phenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(2-bromo-4-methyl-phenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(2-bromo-4-methylphenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(2-bromo-4-methylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(2-bromo-4-methyl-phenyl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C18H16BrNO3 MolecularWeight: 374.22854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C)Br

InChI

InChI=1S/C18H16BrNO3/c1-11-7-8-15(14(19)9-11)20-17(22)18(2)10-12-5-3-4-6-13(12)16(21)23-18/h3-9H,10H2,1-2H3,(H,20,22)/t18-/m0/s1