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

Systemtic Name: 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(4-phenyl-2-thiazolyl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C19H12N3O4S- MolecularWeight: 378.38128

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O4S/c1-26-17-9-12(8-16(18(17)23)22(24)25)7-14(10-20)19-21-15(11-27-19)13-5-3-2-4-6-13/h2-9,11,23H,1H3/p-1/b14-7+