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

Systemtic Name: 4-[(Z)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-2-cyano-2-[4-(4-methoxyphenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-2-cyano-2-[4-(4-methoxyphenyl)-2-thiazolyl]ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-2-cyano-2-[4-(4-methoxyphenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate Formula: C20H14N3O5S- MolecularWeight: 408.40726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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