2-[[6-[(2-carboxy-4-chloranyl-phenyl)amino]-6-oxidanylidene-hexanoyl]amino]-5-chloranyl-benzoic acid

Systemtic Name: 2-[[6-[(2-carboxy-4-chloranyl-phenyl)amino]-6-oxidanylidene-hexanoyl]amino]-5-chloranyl-benzoic acid Openeye Name: 2-[[6-(2-carboxy-4-chloro-anilino)-6-oxo-hexanoyl]amino]-5-chloro-benzoic acid CAS Name: 2-[[6-(2-carboxy-4-chloroanilino)-1,6-dioxohexyl]amino]-5-chlorobenzoic acid IUPAC Name: 2-[[6-(2-carboxy-4-chloroanilino)-6-oxohexanoyl]amino]-5-chlorobenzoic acid Traditional Name: 2-[[6-(2-carboxy-4-chloro-anilino)-6-keto-hexanoyl]amino]-5-chloro-benzoic acid Formula: C20H18Cl2N2O6 MolecularWeight: 453.27272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C(=O)O)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)C(=O)O)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H18Cl2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)