1-[2-(2-hydroxyethyloxy)ethyl]-4-[(3-nitrophenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 1-[2-(2-hydroxyethyloxy)ethyl]-4-[(3-nitrophenyl)-oxidanyl-methylidene]-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy-(3-nitrophenyl)methylene]-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy-(3-nitrophenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy-(3-nitrophenyl)methylidene]-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy-(3-nitrophenyl)methylene]-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=C2C(N(C(=O)C2=O)CCOCCO)C3=CC=CS3)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=C2C(N(C(=O)C2=O)CCOCCO)C3=CC=CS3)O

InChI

InChI=1S/C19H18N2O7S/c22-7-9-28-8-6-20-16(14-5-2-10-29-14)15(18(24)19(20)25)17(23)12-3-1-4-13(11-12)21(26)27/h1-5,10-11,16,22-23H,6-9H2