N-(2-bromanyl-5-nitro-phenyl)-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-bromanyl-5-nitro-phenyl)-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: N-(2-bromo-5-nitro-phenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxamide CAS Name: N-(2-bromo-5-nitrophenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: N-(2-bromo-5-nitrophenyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: N-(2-bromo-5-nitro-phenyl)-4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxamide Formula: C18H17BrN2O5 MolecularWeight: 421.24198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(OC2=C1C(=O)CC(C2)(C)C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H17BrN2O5/c1-9-15-13(22)7-18(2,3)8-14(15)26-16(9)17(23)20-12-6-10(21(24)25)4-5-11(12)19/h4-6H,7-8H2,1-3H3,(H,20,23)