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

Systemtic Name: ethyl 4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1/C=C(\C#N)/C(=O)OCC)C)C2=CC=CC=C2)C

InChI

InChI=1S/C21H22N2O4/c1-5-26-20(24)16(13-22)12-18-14(3)23(17-10-8-7-9-11-17)15(4)19(18)21(25)27-6-2/h7-12H,5-6H2,1-4H3/b16-12+