4-azanyl-N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-amino-N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-amino-N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-amino-N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-3-nitro-benzamide Formula: C12H11N5O4S MolecularWeight: 321.31184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=NC(=CS2)CC(=O)N)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=NC(=CS2)CC(=O)N)[N+](=O)[O-])N

InChI

InChI=1S/C12H11N5O4S/c13-8-2-1-6(3-9(8)17(20)21)11(19)16-12-15-7(5-22-12)4-10(14)18/h1-3,5H,4,13H2,(H2,14,18)(H,15,16,19)