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

Systemtic Name: 3-[5-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 3-[5-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 3-[5-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 3-[5-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 3-[5-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-furyl]-2-methyl-benzoic acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H16N2O5/c1-13-17(5-2-6-18(13)21(25)26)19-8-7-15(28-19)10-14(11-22)20(24)23-12-16-4-3-9-27-16/h2-10H,12H2,1H3,(H,23,24)(H,25,26)