2-[(E)-2-(3-bromanyl-4,5-diethoxy-phenyl)ethenyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(3-bromanyl-4,5-diethoxy-phenyl)ethenyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(3-bromo-4,5-diethoxy-phenyl)vinyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-bromo-4,5-diethoxyphenyl)ethenyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-bromo-4,5-diethoxyphenyl)ethenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3-bromo-4,5-diethoxy-phenyl)vinyl]-6-nitro-1,3-benzothiazole Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C19H17BrN2O4S/c1-3-25-16-10-12(9-14(20)19(16)26-4-2)5-8-18-21-15-7-6-13(22(23)24)11-17(15)27-18/h5-11H,3-4H2,1-2H3/b8-5+