4-[(E)-2-cyano-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]vinyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-2-cyano-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-2-cyano-2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]vinyl]-2-methoxy-6-nitro-phenolate Formula: C19H13N4O5- MolecularWeight: 377.33032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C(=CC3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)/C(=C/C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])/C#N

InChI

InChI=1S/C19H14N4O5/c1-11-3-5-13(6-4-11)18-21-19(28-22-18)14(10-20)7-12-8-15(23(25)26)17(24)16(9-12)27-2/h3-9,24H,1-2H3/p-1/b14-7+