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

Systemtic Name: 4-[(Z)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-2-cyano-2-[4-(2,4-dimethylphenyl)thiazol-2-yl]vinyl]-2-nitro-phenolate CAS Name: 4-[(Z)-2-cyano-2-[4-(2,4-dimethylphenyl)-2-thiazolyl]ethenyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-2-cyano-2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl]-2-nitrophenolate Traditional Name: 4-[(Z)-2-cyano-2-[4-(2,4-dimethylphenyl)thiazol-2-yl]vinyl]-2-nitro-phenolate Formula: C20H14N3O3S- MolecularWeight: 376.40846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)C(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)/C(=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/C#N)C

InChI

InChI=1S/C20H15N3O3S/c1-12-3-5-16(13(2)7-12)17-11-27-20(22-17)15(10-21)8-14-4-6-19(24)18(9-14)23(25)26/h3-9,11,24H,1-2H3/p-1/b15-8-