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

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3,5-dinitro-benzamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3,5-dinitro-benzamide Formula: C17H11BrN4O6S MolecularWeight: 479.26144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrN4O6S/c1-28-15-3-2-9(6-13(15)18)14-8-29-17(19-14)20-16(23)10-4-11(21(24)25)7-12(5-10)22(26)27/h2-8H,1H3,(H,19,20,23)