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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN2O4/c1-14(15-5-3-2-4-6-15)26-22(27)17(13-25)11-18-8-10-21(30-18)16-7-9-20(24)19(12-16)23(28)29/h2-12,14H,1H3,(H,26,27)(H,28,29)/b17-11+