4-[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-cyanoethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]-2-methoxy-6-nitro-phenolate Formula: C20H12N3O6S- MolecularWeight: 422.39078

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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=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H13N3O6S/c1-27-18-6-11(5-15(19(18)24)23(25)26)4-13(8-21)20-22-14(9-30-20)12-2-3-16-17(7-12)29-10-28-16/h2-7,9,24H,10H2,1H3/p-1/b13-4-