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

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-4-nitro-benzamide Formula: C17H12BrN3O4S MolecularWeight: 434.26388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O4S/c1-25-15-7-4-11(8-13(15)18)14-9-26-17(19-14)20-16(22)10-2-5-12(6-3-10)21(23)24/h2-9H,1H3,(H,19,20,22)