5-bromanyl-2-[[6-[(2-carboxyphenyl)amino]-6-oxidanylidene-hexanoyl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[6-[(2-carboxyphenyl)amino]-6-oxidanylidene-hexanoyl]amino]benzoic acid Openeye Name: 5-bromo-2-[[6-(2-carboxyanilino)-6-oxo-hexanoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[6-(2-carboxyanilino)-1,6-dioxohexyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[6-(2-carboxyanilino)-6-oxohexanoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[6-(2-carboxyanilino)-6-keto-hexanoyl]amino]benzoic acid Formula: C20H19BrN2O6 MolecularWeight: 463.27866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C20H19BrN2O6/c21-12-9-10-16(14(11-12)20(28)29)23-18(25)8-4-3-7-17(24)22-15-6-2-1-5-13(15)19(26)27/h1-2,5-6,9-11H,3-4,7-8H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)