2-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-chloro-3-(2-oxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-chloro-3-(2-ketopyrrolidino)benzoyl]amino]terephthalic acid Formula: C19H15ClN2O6 MolecularWeight: 402.7852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C19H15ClN2O6/c20-13-6-4-10(9-15(13)22-7-1-2-16(22)23)17(24)21-14-8-11(18(25)26)3-5-12(14)19(27)28/h3-6,8-9H,1-2,7H2,(H,21,24)(H,25,26)(H,27,28)