4-[(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate Formula: C20H17N2O6S- MolecularWeight: 413.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)C=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6S/c1-26-16-6-5-13(10-17(16)27-2)14-11-29-19(21-14)7-4-12-8-15(22(24)25)20(23)18(9-12)28-3/h4-11,23H,1-3H3/p-1/b7-4+