2-[(E)-2-(3-chloranyl-4,5-dimethoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(3-chloranyl-4,5-dimethoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(3-chloro-4,5-dimethoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3-chloro-4,5-dimethoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C17H13ClN2O4S/c1-23-14-8-10(7-12(18)17(14)24-2)3-6-16-19-13-9-11(20(21)22)4-5-15(13)25-16/h3-9H,1-2H3/b6-3+