2-[[1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]terephthalic acid CAS Name: 2-[[[1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]terephthalic acid Formula: C20H17ClN2O7 MolecularWeight: 432.81118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H17ClN2O7/c1-30-16-5-3-12(21)8-15(16)23-9-11(7-17(23)24)18(25)22-14-6-10(19(26)27)2-4-13(14)20(28)29/h2-6,8,11H,7,9H2,1H3,(H,22,25)(H,26,27)(H,28,29)