(4-chloranyl-2-methyl-phenyl) (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (4-chloro-2-methyl-phenyl) (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (4-chloro-2-methyl-phenyl) ester Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC2=C(C=C(C=C2)Cl)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OC2=C(C=C(C=C2)Cl)C)C

InChI

InChI=1S/C20H21ClN2O2/c1-5-8-23-14(3)10-16(15(23)4)11-17(12-22)20(24)25-19-7-6-18(21)9-13(19)2/h6-7,9-11H,5,8H2,1-4H3/b17-11+