4-nitro-2-[[2-(2-oxidanylidene-1,3-thiazolidin-3-yl)ethanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[2-(2-oxidanylidene-1,3-thiazolidin-3-yl)ethanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[[2-(2-oxothiazolidin-3-yl)acetyl]amino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-2-(2-oxo-3-thiazolidinyl)ethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]phenolate Traditional Name: 2-[[[2-(2-ketothiazolidin-3-yl)acetyl]amino]methyl]-4-nitro-phenolate Formula: C12H12N3O5S- MolecularWeight: 310.30578

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)N1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CSC(=O)N1CC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C12H13N3O5S/c16-10-2-1-9(15(19)20)5-8(10)6-13-11(17)7-14-3-4-21-12(14)18/h1-2,5,16H,3-4,6-7H2,(H,13,17)/p-1