ethyl 4-[3-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-keto-3-(2-methoxyethoxy)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)OCCOC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)OCCOC)C

InChI

InChI=1S/C22H24N2O5/c1-5-28-21(25)17-6-8-20(9-7-17)24-15(2)12-18(16(24)3)13-19(14-23)22(26)29-11-10-27-4/h6-9,12-13H,5,10-11H2,1-4H3/b19-13+