4-[(E)-1-cyano-2-[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]benzoic acid

Systemtic Name: 4-[(E)-1-cyano-2-[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[(E)-1-cyano-2-[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]benzoic acid CAS Name: 4-[(E)-1-cyano-2-[1-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]ethenyl]benzoic acid IUPAC Name: 4-[(E)-1-cyano-2-[1-(2-methoxy-5-nitrophenyl)-2,5-dimethylpyrrol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[(E)-1-cyano-2-[1-(2-methoxy-5-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]vinyl]benzoic acid Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])OC)C)C=C(C#N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])OC)C)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H19N3O5/c1-14-10-18(11-19(13-24)16-4-6-17(7-5-16)23(27)28)15(2)25(14)21-12-20(26(29)30)8-9-22(21)31-3/h4-12H,1-3H3,(H,27,28)/b19-11-