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

Systemtic Name: (4-nitrophenyl)methyl (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: (4-nitrophenyl)methyl (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid (4-nitrobenzyl) ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O4/c1-4-5-10-23-15(2)11-18(16(23)3)12-19(13-22)21(25)28-14-17-6-8-20(9-7-17)24(26)27/h6-9,11-12H,4-5,10,14H2,1-3H3/b19-12+