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

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(2,4-dimethylphenyl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-6-26-21(25)19-15(5)23-14(4)18(19)20(24)17(11-22)10-16-8-7-12(2)9-13(16)3/h7-10,23H,6H2,1-5H3/b17-10+