3,6,6-trimethyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: 3,6,6-trimethyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-4-oxidanylidene-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-keto-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxamide Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-11-17-14(23)8-20(2,3)9-16(17)28-18(11)19(25)21-10-15(24)12-4-6-13(7-5-12)22(26)27/h4-7,15,24H,8-10H2,1-3H3,(H,21,25)