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

Systemtic Name: 4-chloranyl-3-[5-(2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl)furan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[5-(2-cyano-3-morpholino-3-oxo-prop-1-enyl)-2-furyl]benzoic acid CAS Name: 4-chloro-3-[5-[2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 4-chloro-3-[5-(2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl)furan-2-yl]benzoic acid Traditional Name: 4-chloro-3-[5-(2-cyano-3-keto-3-morpholino-prop-1-enyl)-2-furyl]benzoic acid Formula: C19H15ClN2O5 MolecularWeight: 386.7858

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C#N

Isomeric SMILES

C1COCCN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C#N

InChI

InChI=1S/C19H15ClN2O5/c20-16-3-1-12(19(24)25)10-15(16)17-4-2-14(27-17)9-13(11-21)18(23)22-5-7-26-8-6-22/h1-4,9-10H,5-8H2,(H,24,25)