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

Systemtic Name: ethyl 4-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C24H23N3O4 MolecularWeight: 417.45712

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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)NCC3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C24H23N3O4/c1-4-30-24(29)18-7-9-21(10-8-18)27-16(2)12-19(17(27)3)13-20(14-25)23(28)26-15-22-6-5-11-31-22/h5-13H,4,15H2,1-3H3,(H,26,28)/b20-13+