disodium 2-[(4-aminophenyl)carbonyl-methyl-amino]pentanedioate

Systemtic Name: disodium 2-[(4-aminophenyl)carbonyl-methyl-amino]pentanedioate Openeye Name: disodium 2-[(4-aminobenzoyl)-methyl-amino]pentanedioate CAS Name: disodium 2-[[(4-aminophenyl)-oxomethyl]-methylamino]pentanedioate IUPAC Name: disodium 2-[(4-aminobenzoyl)-methylamino]pentanedioate Traditional Name: disodium 2-[(4-aminobenzoyl)-methyl-amino]glutarate Formula: C13H14N2Na2O5 MolecularWeight: 324.2402

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC(=O)[O-])C(=O)[O-])C(=O)C1=CC=C(C=C1)N.[Na+].[Na+]

Isomeric SMILES

CN(C(CCC(=O)[O-])C(=O)[O-])C(=O)C1=CC=C(C=C1)N.[Na+].[Na+]

InChI

InChI=1S/C13H16N2O5.2Na/c1-15(10(13(19)20)6-7-11(16)17)12(18)8-2-4-9(14)5-3-8;;/h2-5,10H,6-7,14H2,1H3,(H,16,17)(H,19,20);;/q;2*+1/p-2