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

Systemtic Name: 4-[3-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4/c1-14-10-17(11-18(12-23)21(26)24-13-20-4-3-9-29-20)15(2)25(14)19-7-5-16(6-8-19)22(27)28/h3-11H,13H2,1-2H3,(H,24,26)(H,27,28)