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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(2,5-dimethylphenyl)acryloyl]-2,4-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)C(=O)C(=CC2=C(C=CC(=C2)C)C)C#N)C

Isomeric SMILES

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

InChI

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