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

Systemtic Name: 6-bromanyl-N-(2-methyl-4-nitro-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-bromo-N-(2-methyl-4-nitro-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-(2-methyl-4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(2-methyl-4-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-bromo-1-keto-N-(2-methyl-4-nitro-phenyl)isochroman-3-carboxamide Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC3=C(C=CC(=C3)Br)C(=O)O2

InChI

InChI=1S/C17H13BrN2O5/c1-9-6-12(20(23)24)3-5-14(9)19-16(21)15-8-10-7-11(18)2-4-13(10)17(22)25-15/h2-7,15H,8H2,1H3,(H,19,21)