3-[[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]propanoic acid

Systemtic Name: 3-[[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]amino]propanoic acid Openeye Name: 3-[[(5E)-5-[(4-nitrophenyl)methylene]-4-oxo-thiazol-2-yl]amino]propanoic acid CAS Name: 3-[[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-thiazolyl]amino]propanoic acid IUPAC Name: 3-[[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]propanoic acid Traditional Name: 3-[[(5E)-4-keto-5-(4-nitrobenzylidene)-2-thiazolin-2-yl]amino]propionic acid Formula: C13H11N3O5S MolecularWeight: 321.30854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N=C(S2)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=O)N=C(S2)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5S/c17-11(18)5-6-14-13-15-12(19)10(22-13)7-8-1-3-9(4-2-8)16(20)21/h1-4,7H,5-6H2,(H,17,18)(H,14,15,19)/b10-7+