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

Systemtic Name: (2-nitrophenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: (2-nitrophenyl)methyl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid (2-nitrobenzyl) ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-14(2)12-23-15(3)9-18(16(23)4)10-19(11-22)21(25)28-13-17-7-5-6-8-20(17)24(26)27/h5-10,14H,12-13H2,1-4H3/b19-10+