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

Systemtic Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate Formula: C21H16N3O6S- MolecularWeight: 438.43324

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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-])C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6S/c1-28-17-5-4-13(9-18(17)29-2)15-11-31-21(23-15)14(10-22)6-12-7-16(24(26)27)20(25)19(8-12)30-3/h4-9,11,25H,1-3H3/p-1/b14-6-