N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[4-(4-methoxyphenyl)-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-3,5-dinitro-benzamide Formula: C17H12N4O6S MolecularWeight: 400.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6S/c1-27-14-4-2-10(3-5-14)15-9-28-17(18-15)19-16(22)11-6-12(20(23)24)8-13(7-11)21(25)26/h2-9H,1H3,(H,18,19,22)