4-[2-[bis(carboxymethyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[bis(carboxymethyl)amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[bis(carboxymethyl)amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[bis(carboxymethyl)amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[bis(carboxymethyl)amino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[bis(carboxymethyl)amino]acetyl]amino]benzoic acid Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C13H14N2O7/c16-10(5-15(6-11(17)18)7-12(19)20)14-9-3-1-8(2-4-9)13(21)22/h1-4H,5-7H2,(H,14,16)(H,17,18)(H,19,20)(H,21,22)