(4E)-2-[(5-chloranyl-2-iodanyl-phenyl)amino]-4-(2-oxidanylidene-1-phenyl-pyrrolidin-3-ylidene)butanoic acid

Systemtic Name: (4E)-2-[(5-chloranyl-2-iodanyl-phenyl)amino]-4-(2-oxidanylidene-1-phenyl-pyrrolidin-3-ylidene)butanoic acid Openeye Name: (4E)-2-(5-chloro-2-iodo-anilino)-4-(2-oxo-1-phenyl-pyrrolidin-3-ylidene)butanoic acid CAS Name: (4E)-2-(5-chloro-2-iodoanilino)-4-(2-oxo-1-phenyl-3-pyrrolidinylidene)butanoic acid IUPAC Name: (4E)-2-(5-chloro-2-iodoanilino)-4-(2-oxo-1-phenylpyrrolidin-3-ylidene)butanoic acid Traditional Name: (4E)-2-(5-chloro-2-iodo-anilino)-4-(2-keto-1-phenyl-pyrrolidin-3-ylidene)butyric acid Formula: C20H18ClIN2O3 MolecularWeight: 496.72599

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1=CCC(C(=O)O)NC2=C(C=CC(=C2)Cl)I)C3=CC=CC=C3

Isomeric SMILES

C\1CN(C(=O)/C1=C/CC(C(=O)O)NC2=C(C=CC(=C2)Cl)I)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClIN2O3/c21-14-7-8-16(22)18(12-14)23-17(20(26)27)9-6-13-10-11-24(19(13)25)15-4-2-1-3-5-15/h1-8,12,17,23H,9-11H2,(H,26,27)/b13-6+