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

Systemtic Name: 4-[(Z)-2-cyano-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-2-cyano-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-2-cyano-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]vinyl]-2-methoxy-6-nitro-phenolate Formula: C22H12N3O6S- MolecularWeight: 446.41218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H13N3O6S/c1-30-19-8-12(7-17(20(19)26)25(28)29)6-14(10-23)21-24-16(11-32-21)15-9-13-4-2-3-5-18(13)31-22(15)27/h2-9,11,26H,1H3/p-1/b14-6-