2-[[7-[(2-carboxy-4-chloranyl-phenyl)amino]-7-oxidanylidene-heptanoyl]amino]-5-chloranyl-benzoic acid

Systemtic Name: 2-[[7-[(2-carboxy-4-chloranyl-phenyl)amino]-7-oxidanylidene-heptanoyl]amino]-5-chloranyl-benzoic acid Openeye Name: 2-[[7-(2-carboxy-4-chloro-anilino)-7-oxo-heptanoyl]amino]-5-chloro-benzoic acid CAS Name: 2-[[7-(2-carboxy-4-chloroanilino)-1,7-dioxoheptyl]amino]-5-chlorobenzoic acid IUPAC Name: 2-[[7-(2-carboxy-4-chloroanilino)-7-oxoheptanoyl]amino]-5-chlorobenzoic acid Traditional Name: 2-[[7-(2-carboxy-4-chloro-anilino)-7-keto-heptanoyl]amino]-5-chloro-benzoic acid Formula: C21H20Cl2N2O6 MolecularWeight: 467.2993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)