3-cyano-4-methoxy-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-cyano-4-methoxy-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 3-cyano-4-methoxy-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-4-oxo-butanoic acid CAS Name: 3-cyano-4-methoxy-2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-4-oxobutanoic acid IUPAC Name: 3-cyano-4-methoxy-2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-4-oxobutanoic acid Traditional Name: 3-cyano-4-keto-4-methoxy-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]butyric acid Formula: C15H13N5O6 MolecularWeight: 359.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=N2)C(C(C#N)C(=O)OC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=N2)C(C(C#N)C(=O)OC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O6/c1-7-3-4-8(5-10(7)20(24)25)12-17-13(19-18-12)11(14(21)22)9(6-16)15(23)26-2/h3-5,9,11H,1-2H3,(H,21,22)(H,17,18,19)