(2E,4E,6E)-2-cyano-7-(5-nitrothiophen-3-yl)hepta-2,4,6-trienoic acid

Systemtic Name: (2E,4E,6E)-2-cyano-7-(5-nitrothiophen-3-yl)hepta-2,4,6-trienoic acid Openeye Name: (2E,4E,6E)-2-cyano-7-(5-nitro-3-thienyl)hepta-2,4,6-trienoic acid CAS Name: (2E,4E,6E)-2-cyano-7-(5-nitro-3-thiophenyl)hepta-2,4,6-trienoic acid IUPAC Name: (2E,4E,6E)-2-cyano-7-(5-nitrothiophen-3-yl)hepta-2,4,6-trienoic acid Traditional Name: (2E,4E,6E)-2-cyano-7-(5-nitro-3-thienyl)hepta-2,4,6-trienoic acid Formula: C12H8N2O4S MolecularWeight: 276.26792

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1C=CC=CC=C(C#N)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O4S/c13-7-10(12(15)16)5-3-1-2-4-9-6-11(14(17)18)19-8-9/h1-6,8H,(H,15,16)/b3-1+,4-2+,10-5+