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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(2-methylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(o-tolyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-(2-methylphenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(2-methylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(o-tolyl)acryloyl]-2,4-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)C(=O)C(=CC2=CC=CC=C2C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC=CC=C2C)/C#N)C

InChI

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