N-(4-acetamidophenyl)-6-bromanyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-6-bromanyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(4-acetamidophenyl)-6-bromo-1-oxo-isochromane-3-carboxamide CAS Name: N-(4-acetamidophenyl)-6-bromo-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(4-acetamidophenyl)-6-bromo-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(4-acetamidophenyl)-6-bromo-1-keto-isochroman-3-carboxamide Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

InChI

InChI=1S/C18H15BrN2O4/c1-10(22)20-13-3-5-14(6-4-13)21-17(23)16-9-11-8-12(19)2-7-15(11)18(24)25-16/h2-8,16H,9H2,1H3,(H,20,22)(H,21,23)