N-(2-bromanyl-4-nitro-phenyl)-3,6-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-3,6-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-3,6-dimethyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(2-bromo-4-nitrophenyl)-3,6-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-1-keto-3,6-dimethyl-isochroman-3-carboxamide Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H15BrN2O5/c1-10-3-5-13-11(7-10)9-18(2,26-16(13)22)17(23)20-15-6-4-12(21(24)25)8-14(15)19/h3-8H,9H2,1-2H3,(H,20,23)