N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dinitro-benzamide

Systemtic Name: N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dinitro-benzamide Openeye Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-2,4-dinitro-benzamide CAS Name: N-(5-acetyl-4-phenyl-2-thiazolyl)-2,4-dinitrobenzamide IUPAC Name: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dinitrobenzamide Traditional Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-2,4-dinitro-benzamide Formula: C18H12N4O6S MolecularWeight: 412.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H12N4O6S/c1-10(23)16-15(11-5-3-2-4-6-11)19-18(29-16)20-17(24)13-8-7-12(21(25)26)9-14(13)22(27)28/h2-9H,1H3,(H,19,20,24)