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

Systemtic Name: (4-nitrophenyl)methyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]acrylic acid (4-nitrobenzyl) ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C=C(C#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-14-10-17(15(2)22(14)8-9-27-3)11-18(12-21)20(24)28-13-16-4-6-19(7-5-16)23(25)26/h4-7,10-11H,8-9,13H2,1-3H3/b18-11+