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

Systemtic Name: 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-cyanoethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]-2-nitro-phenolate Formula: C19H10N3O5S- MolecularWeight: 392.3648

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)C(=CC4=CC(=C(C=C4)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/C4=CC(=C(C=C4)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H11N3O5S/c20-8-13(5-11-1-3-16(23)15(6-11)22(24)25)19-21-14(9-28-19)12-2-4-17-18(7-12)27-10-26-17/h1-7,9,23H,10H2/p-1/b13-5+