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

Systemtic Name: N-[4-(4-methoxy-3-methyl-phenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[4-(4-methoxy-3-methylphenyl)-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]-3,5-dinitro-benzamide Formula: C18H14N4O6S MolecularWeight: 414.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C18H14N4O6S/c1-10-5-11(3-4-16(10)28-2)15-9-29-18(19-15)20-17(23)12-6-13(21(24)25)8-14(7-12)22(26)27/h3-9H,1-2H3,(H,19,20,23)