(4E)-2-[(5-chloranyl-2-iodanyl-phenyl)amino]-4-(2-oxidanylidene-4-phenyl-pyrrolidin-3-ylidene)butanoic acid

Systemtic Name: (4E)-2-[(5-chloranyl-2-iodanyl-phenyl)amino]-4-(2-oxidanylidene-4-phenyl-pyrrolidin-3-ylidene)butanoic acid Openeye Name: (4E)-2-(5-chloro-2-iodo-anilino)-4-(2-oxo-4-phenyl-pyrrolidin-3-ylidene)butanoic acid CAS Name: (4E)-2-(5-chloro-2-iodoanilino)-4-(2-oxo-4-phenyl-3-pyrrolidinylidene)butanoic acid IUPAC Name: (4E)-2-(5-chloro-2-iodoanilino)-4-(2-oxo-4-phenylpyrrolidin-3-ylidene)butanoic acid Traditional Name: (4E)-2-(5-chloro-2-iodo-anilino)-4-(2-keto-4-phenyl-pyrrolidin-3-ylidene)butyric acid Formula: C20H18ClIN2O3 MolecularWeight: 496.72599

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=CCC(C(=O)O)NC2=C(C=CC(=C2)Cl)I)C(=O)N1)C3=CC=CC=C3

Isomeric SMILES

C1C(/C(=C\CC(C(=O)O)NC2=C(C=CC(=C2)Cl)I)/C(=O)N1)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClIN2O3/c21-13-6-8-16(22)18(10-13)24-17(20(26)27)9-7-14-15(11-23-19(14)25)12-4-2-1-3-5-12/h1-8,10,15,17,24H,9,11H2,(H,23,25)(H,26,27)/b14-7+