3-[5-(2-cyano-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl)furan-2-yl]benzoic acid

Systemtic Name: 3-[5-(2-cyano-3-oxidanylidene-3-pyrrolidin-1-yl-prop-1-enyl)furan-2-yl]benzoic acid Openeye Name: 3-[5-(2-cyano-3-oxo-3-pyrrolidin-1-yl-prop-1-enyl)-2-furyl]benzoic acid CAS Name: 3-[5-[2-cyano-3-oxo-3-(1-pyrrolidinyl)prop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-(2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl)furan-2-yl]benzoic acid Traditional Name: 3-[5-(2-cyano-3-keto-3-pyrrolidino-prop-1-enyl)-2-furyl]benzoic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C#N

Isomeric SMILES

C1CCN(C1)C(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C#N

InChI

InChI=1S/C19H16N2O4/c20-12-15(18(22)21-8-1-2-9-21)11-16-6-7-17(25-16)13-4-3-5-14(10-13)19(23)24/h3-7,10-11H,1-2,8-9H2,(H,23,24)