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

Systemtic Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]-2-nitro-phenolate CAS Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]ethenyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-nitrophenolate Traditional Name: 4-[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]-2-nitro-phenolate Formula: C20H14N3O5S- MolecularWeight: 408.40726

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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)[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)[O-])[N+](=O)[O-])/C#N)OC

InChI

InChI=1S/C20H15N3O5S/c1-27-18-6-4-13(9-19(18)28-2)15-11-29-20(22-15)14(10-21)7-12-3-5-17(24)16(8-12)23(25)26/h3-9,11,24H,1-2H3/p-1/b14-7-