ethyl 5-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C=C(C#N)C(=O)NCCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C21H23N3O3/c1-4-27-21(26)19-14(2)18(24-15(19)3)12-17(13-22)20(25)23-11-10-16-8-6-5-7-9-16/h5-9,12,24H,4,10-11H2,1-3H3,(H,23,25)/b17-12+