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

Systemtic Name: 4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]-2-methoxy-6-nitro-phenolate Formula: C14H10N3O4S- MolecularWeight: 316.3119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4S/c1-8-7-22-14(16-8)10(6-15)3-9-4-11(17(19)20)13(18)12(5-9)21-2/h3-5,7,18H,1-2H3/p-1/b10-3+