2-[(E)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-[(E)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-6-nitro-phenolate Openeye Name: 2-[(E)-(2,4-dioxo-3-prop-2-ynyl-thiazolidin-5-ylidene)methyl]-6-nitro-phenolate CAS Name: 2-[(E)-(2,4-dioxo-3-prop-2-ynyl-5-thiazolidinylidene)methyl]-6-nitrophenolate IUPAC Name: 2-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-nitrophenolate Traditional Name: 2-[(E)-(2,4-diketo-3-propargyl-thiazolidin-5-ylidene)methyl]-6-nitro-phenolate Formula: C13H7N2O5S- MolecularWeight: 303.27008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O5S/c1-2-6-14-12(17)10(21-13(14)18)7-8-4-3-5-9(11(8)16)15(19)20/h1,3-5,7,16H,6H2/p-1/b10-7+