4-[(3E)-3-[(5-nitrothiophen-2-yl)methylidene]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: 4-[(3E)-3-[(5-nitrothiophen-2-yl)methylidene]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: 4-[(3E)-3-[(5-nitro-2-thienyl)methylene]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[(3E)-3-[(5-nitro-2-thiophenyl)methylidene]-2,5-dioxo-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(3E)-3-[(5-nitrothiophen-2-yl)methylidene]-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[(3E)-2,5-diketo-3-[(5-nitro-2-thienyl)methylene]pyrrolidino]benzoate Formula: C16H9N2O6S- MolecularWeight: 357.31746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)N(C1=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1/C(=C\C2=CC=C(S2)[N+](=O)[O-])/C(=O)N(C1=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H10N2O6S/c19-13-8-10(7-12-5-6-14(25-12)18(23)24)15(20)17(13)11-3-1-9(2-4-11)16(21)22/h1-7H,8H2,(H,21,22)/p-1/b10-7+