ethyl 4-[(E)-2-cyano-3-(3-methylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(3-methylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(m-tolyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(3-methylphenyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(3-methylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(m-tolyl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C(=CC2=CC(=CC=C2)C)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)/C(=C/C2=CC(=CC=C2)C)/C#N)C)C

InChI

InChI=1S/C20H20N2O3/c1-5-25-20(24)18-14(4)22-13(3)17(18)19(23)16(11-21)10-15-8-6-7-12(2)9-15/h6-10,22H,5H2,1-4H3/b16-10+