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

Systemtic Name: 3-[5-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-furyl]benzoic acid CAS Name: 3-[5-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-furyl]benzoic acid Formula: C20H14N2O5 MolecularWeight: 362.33556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H14N2O5/c21-11-15(19(23)22-12-17-5-2-8-26-17)10-16-6-7-18(27-16)13-3-1-4-14(9-13)20(24)25/h1-10H,12H2,(H,22,23)(H,24,25)