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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2(CC3=C(C=CC(=C3)Br)C(=O)O2)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2(CC3=C(C=CC(=C3)Br)C(=O)O2)C

InChI

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