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

Systemtic Name: 4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-2-nitro-phenolate Formula: C13H8N3O3S- MolecularWeight: 286.28592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C13H9N3O3S/c1-8-7-20-13(15-8)10(6-14)4-9-2-3-12(17)11(5-9)16(18)19/h2-5,7,17H,1H3/p-1/b10-4+