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

Systemtic Name: 4-[(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-[4-(4-ethylphenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-[4-(4-ethylphenyl)-2-thiazolyl]ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-[4-(4-ethylphenyl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate Formula: C21H16N3O4S- MolecularWeight: 406.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H17N3O4S/c1-3-13-4-6-15(7-5-13)17-12-29-21(23-17)16(11-22)8-14-9-18(24(26)27)20(25)19(10-14)28-2/h4-10,12,25H,3H2,1-2H3/p-1/b16-8+