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

Systemtic Name: 4-[(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-[4-(3-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-[4-(3-bromophenyl)-2-thiazolyl]-2-cyanoethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-[4-(3-bromophenyl)thiazol-2-yl]-2-cyano-vinyl]-2-methoxy-6-nitro-phenolate Formula: C19H11BrN3O4S- MolecularWeight: 457.27734

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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=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O4S/c1-27-17-7-11(6-16(18(17)24)23(25)26)5-13(9-21)19-22-15(10-28-19)12-3-2-4-14(20)8-12/h2-8,10,24H,1H3/p-1/b13-5+