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

Systemtic Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-2-cyano-3-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-cyano-3-keto-prop-1-enyl]benzoate Formula: C20H17N2O5- MolecularWeight: 365.35938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC=C(C=C2)C(=O)[O-])C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5/c1-4-27-20(26)16-11(2)17(22-12(16)3)18(23)15(10-21)9-13-5-7-14(8-6-13)19(24)25/h5-9,22H,4H2,1-3H3,(H,24,25)/p-1/b15-9+