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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

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