2-chloranyl-4-[5-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid

Systemtic Name: 2-chloranyl-4-[5-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C#N

Isomeric SMILES

C1CC(OC1)CNC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/C#N

InChI

InChI=1S/C20H17ClN2O5/c21-17-9-12(3-5-16(17)20(25)26)18-6-4-14(28-18)8-13(10-22)19(24)23-11-15-2-1-7-27-15/h3-6,8-9,15H,1-2,7,11H2,(H,23,24)(H,25,26)/b13-8+