(2E)-4-azanyl-2-[(5-nitrothiophen-2-yl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-4-azanyl-2-[(5-nitrothiophen-2-yl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-4-amino-2-[(5-nitro-2-thienyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-4-amino-2-[(5-nitro-2-thiophenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-4-amino-2-[(5-nitrothiophen-2-yl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-glycyl-3-(5-nitro-2-thienyl)acrylic acid Formula: C9H8N2O5S MolecularWeight: 256.23522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O5S/c10-4-7(12)6(9(13)14)3-5-1-2-8(17-5)11(15)16/h1-3H,4,10H2,(H,13,14)/b6-3+