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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]acrylate Formula: C17H15N2O2- MolecularWeight: 279.3132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)[O-])C

InChI

InChI=1S/C17H16N2O2/c1-11-5-4-6-16(7-11)19-12(2)8-14(13(19)3)9-15(10-18)17(20)21/h4-9H,1-3H3,(H,20,21)/p-1/b15-9+