cyanomethyl (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: cyanomethyl (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylic acid cyanomethyl ester Formula: C18H14ClN3O2 MolecularWeight: 339.77566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C(C#N)C(=O)OCC#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=C(\C#N)/C(=O)OCC#N

InChI

InChI=1S/C18H14ClN3O2/c1-12-8-14(9-15(11-21)18(23)24-7-6-20)13(2)22(12)17-5-3-4-16(19)10-17/h3-5,8-10H,7H2,1-2H3/b15-9+