2-[(5-nitrothiophen-2-yl)methylidene]propanedioic acid

Systemtic Name: 2-[(5-nitrothiophen-2-yl)methylidene]propanedioic acid Openeye Name: 2-[(5-nitro-2-thienyl)methylene]propanedioic acid CAS Name: 2-[(5-nitro-2-thiophenyl)methylidene]propanedioic acid IUPAC Name: 2-[(5-nitrothiophen-2-yl)methylidene]propanedioic acid Traditional Name: 2-[(5-nitro-2-thienyl)methylene]malonic acid Formula: C8H5NO6S MolecularWeight: 243.1934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)[N+](=O)[O-])C=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)[N+](=O)[O-])C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C8H5NO6S/c10-7(11)5(8(12)13)3-4-1-2-6(16-4)9(14)15/h1-3H,(H,10,11)(H,12,13)