(4-nitrophenyl)methyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate

Systemtic Name: (4-nitrophenyl)methyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid (4-nitrobenzyl) ester Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5/c1-16-12-19(17(2)26(16)21-8-10-23(31-3)11-9-21)13-20(14-25)24(28)32-15-18-4-6-22(7-5-18)27(29)30/h4-13H,15H2,1-3H3/b20-13+