N-(2-bromanyl-4-nitro-phenyl)-1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-6-isopropyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(2-bromo-4-nitrophenyl)-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-6-isopropyl-1-keto-isochroman-3-carboxamide Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H17BrN2O5/c1-10(2)11-3-5-14-12(7-11)8-17(27-19(14)24)18(23)21-16-6-4-13(22(25)26)9-15(16)20/h3-7,9-10,17H,8H2,1-2H3,(H,21,23)