2,4-bis(azanyl)-2-(2-fluorophenyl)carbonyl-pentanedioic acid

Systemtic Name: 2,4-bis(azanyl)-2-(2-fluorophenyl)carbonyl-pentanedioic acid Openeye Name: 2,4-diamino-2-(2-fluorobenzoyl)pentanedioic acid CAS Name: 2,4-diamino-2-[(2-fluorophenyl)-oxomethyl]pentanedioic acid IUPAC Name: 2,4-diamino-2-(2-fluorobenzoyl)pentanedioic acid Traditional Name: 2,4-diamino-2-(2-fluorobenzoyl)glutaric acid Formula: C12H13FN2O5 MolecularWeight: 284.240423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(CC(C(=O)O)N)(C(=O)O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(CC(C(=O)O)N)(C(=O)O)N)F

InChI

InChI=1S/C12H13FN2O5/c13-7-4-2-1-3-6(7)9(16)12(15,11(19)20)5-8(14)10(17)18/h1-4,8H,5,14-15H2,(H,17,18)(H,19,20)