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

Systemtic Name: 2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)ethenyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(4,5-dimethoxy-2-nitrophenyl)ethenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4,5-dimethoxy-2-nitro-phenyl)vinyl]-6-nitro-1,3-benzothiazole Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6S/c1-25-14-7-10(13(20(23)24)9-15(14)26-2)3-6-17-18-12-5-4-11(19(21)22)8-16(12)27-17/h3-9H,1-2H3/b6-3+