5-bromanyl-2-[[6-[(4-bromophenyl)amino]-6-oxidanylidene-hexanoyl]amino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[6-[(4-bromophenyl)amino]-6-oxidanylidene-hexanoyl]amino]benzoic acid Openeye Name: 5-bromo-2-[[6-(4-bromoanilino)-6-oxo-hexanoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[6-(4-bromoanilino)-1,6-dioxohexyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[6-(4-bromoanilino)-6-oxohexanoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[6-(4-bromoanilino)-6-keto-hexanoyl]amino]benzoic acid Formula: C19H18Br2N2O4 MolecularWeight: 498.16522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)Br)C(=O)O)Br

InChI

InChI=1S/C19H18Br2N2O4/c20-12-5-8-14(9-6-12)22-17(24)3-1-2-4-18(25)23-16-10-7-13(21)11-15(16)19(26)27/h5-11H,1-4H2,(H,22,24)(H,23,25)(H,26,27)