2-[[4-[bis(2-bromoethyl)amino]-3-fluoranyl-phenyl]carbamoylamino]pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-bromoethyl)amino]-3-fluoranyl-phenyl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[4-[bis(2-bromoethyl)amino]-3-fluoro-phenyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[4-[bis(2-bromoethyl)amino]-3-fluoroanilino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(2-bromoethyl)amino]-3-fluorophenyl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[4-[bis(2-bromoethyl)amino]-3-fluoro-phenyl]carbamoylamino]glutaric acid Formula: C16H20Br2FN3O5 MolecularWeight: 513.153503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC(CCC(=O)O)C(=O)O)F)N(CCBr)CCBr

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC(CCC(=O)O)C(=O)O)F)N(CCBr)CCBr

InChI

InChI=1S/C16H20Br2FN3O5/c17-5-7-22(8-6-18)13-3-1-10(9-11(13)19)20-16(27)21-12(15(25)26)2-4-14(23)24/h1,3,9,12H,2,4-8H2,(H,23,24)(H,25,26)(H2,20,21,27)