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

Systemtic Name: methyl 3-[3-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 3-[3-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C23H21N3O4/c1-15-10-18(11-19(13-24)22(27)25-14-21-8-5-9-30-21)16(2)26(15)20-7-4-6-17(12-20)23(28)29-3/h4-12H,14H2,1-3H3,(H,25,27)