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

Systemtic Name: 2-chloranyl-4-[5-[(E)-2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(E)-2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(E)-2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-2-furyl]benzoic acid Formula: C23H17ClN2O4 MolecularWeight: 420.84508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)/C(=C/C2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)/C#N

InChI

InChI=1S/C23H17ClN2O4/c24-20-13-16(6-8-19(20)23(28)29)21-9-7-18(30-21)12-17(14-25)22(27)26-11-10-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,26,27)(H,28,29)/b17-12+