4-[(E)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(E)-(2,4-dioxo-3-prop-2-ynyl-thiazolidin-5-ylidene)methyl]-2-nitro-phenolate CAS Name: 4-[(E)-(2,4-dioxo-3-prop-2-ynyl-5-thiazolidinylidene)methyl]-2-nitrophenolate IUPAC Name: 4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-2-nitrophenolate Traditional Name: 4-[(E)-(2,4-diketo-3-propargyl-thiazolidin-5-ylidene)methyl]-2-nitro-phenolate Formula: C13H7N2O5S- MolecularWeight: 303.27008

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])SC1=O

Isomeric SMILES

C#CCN1C(=O)/C(=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/SC1=O

InChI

InChI=1S/C13H8N2O5S/c1-2-5-14-12(17)11(21-13(14)18)7-8-3-4-10(16)9(6-8)15(19)20/h1,3-4,6-7,16H,5H2/p-1/b11-7+