3,6,6-trimethyl-N-(4-nitrophenyl)-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

Systemtic Name: 3,6,6-trimethyl-N-(4-nitrophenyl)-4-oxidanyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide Openeye Name: 4-hydroxy-3,6,6-trimethyl-N-(4-nitrophenyl)-5,7-dihydro-4H-benzofuran-2-carboxamide CAS Name: 4-hydroxy-3,6,6-trimethyl-N-(4-nitrophenyl)-5,7-dihydro-4H-benzofuran-2-carboxamide IUPAC Name: 4-hydroxy-3,6,6-trimethyl-N-(4-nitrophenyl)-5,7-dihydro-4H-1-benzofuran-2-carboxamide Traditional Name: 4-hydroxy-3,6,6-trimethyl-N-(4-nitrophenyl)-5,7-dihydro-4H-benzofuran-2-carboxamide Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c1-10-15-13(21)8-18(2,3)9-14(15)25-16(10)17(22)19-11-4-6-12(7-5-11)20(23)24/h4-7,13,21H,8-9H2,1-3H3,(H,19,22)