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

Systemtic Name: 4-[(E)-[2,4-bis(oxidanylidene)-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene]methyl]-2-bromanyl-6-nitro-phenolate Openeye Name: 2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-thiazolidin-5-ylidene)methyl]-6-nitro-phenolate CAS Name: 2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-5-thiazolidinylidene)methyl]-6-nitrophenolate IUPAC Name: 2-bromo-4-[(E)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]-6-nitrophenolate Traditional Name: 2-bromo-4-[(E)-(2,4-diketo-3-propargyl-thiazolidin-5-ylidene)methyl]-6-nitro-phenolate Formula: C13H6BrN2O5S- MolecularWeight: 382.16614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7BrN2O5S/c1-2-3-15-12(18)10(22-13(15)19)6-7-4-8(14)11(17)9(5-7)16(20)21/h1,4-6,17H,3H2/p-1/b10-6+