(5S)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-(4-nitrophenyl)-1-(3-oxidanylpropyl)pyrrolidine-2,3-dione

Systemtic Name: (5S)-4-[(4-methoxyphenyl)-oxidanyl-methylidene]-5-(4-nitrophenyl)-1-(3-oxidanylpropyl)pyrrolidine-2,3-dione Openeye Name: (5S)-4-[hydroxy-(4-methoxyphenyl)methylene]-1-(3-hydroxypropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-hydroxypropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-hydroxypropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione Traditional Name: (5S)-4-[hydroxy-(4-methoxyphenyl)methylene]-1-(3-hydroxypropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-quinone Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCO)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)C(=C2[C@@H](N(C(=O)C2=O)CCCO)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H20N2O7/c1-30-16-9-5-14(6-10-16)19(25)17-18(13-3-7-15(8-4-13)23(28)29)22(11-2-12-24)21(27)20(17)26/h3-10,18,24-25H,2,11-12H2,1H3/t18-/m0/s1