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

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-4-ethoxy-3-nitro-benzamide Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O5S/c1-3-28-17-7-5-12(9-15(17)23(25)26)18(24)22-19-21-14(10-29-19)11-4-6-16(27-2)13(20)8-11/h4-10H,3H2,1-2H3,(H,21,22,24)