(2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-homoveratryl-2-keto-5-(4-nitrophenyl)-3-pyrrolin-3-olate Formula: C22H21N2O7- MolecularWeight: 425.41134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC(=C(C=C3)OC)OC)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])CCC3=CC(=C(C=C3)OC)OC)[O-]

InChI

InChI=1S/C22H22N2O7/c1-13(25)19-20(15-5-7-16(8-6-15)24(28)29)23(22(27)21(19)26)11-10-14-4-9-17(30-2)18(12-14)31-3/h4-9,12,20,26H,10-11H2,1-3H3/p-1/t20-/m1/s1