2-[3-[aminocarbonyl(carboxy)amino]but-1-ynyl]benzoic acid

Systemtic Name: 2-[3-[aminocarbonyl(carboxy)amino]but-1-ynyl]benzoic acid Openeye Name: 2-[3-[carbamoyl(carboxy)amino]but-1-ynyl]benzoic acid CAS Name: 2-[3-[carbamoyl(carboxy)amino]but-1-ynyl]benzoic acid IUPAC Name: 2-[3-[carbamoyl(carboxy)amino]but-1-ynyl]benzoic acid Traditional Name: 2-[3-[carbamoyl(carboxy)amino]but-1-ynyl]benzoic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=CC=C1C(=O)O)N(C(=O)N)C(=O)O

Isomeric SMILES

CC(C#CC1=CC=CC=C1C(=O)O)N(C(=O)N)C(=O)O

InChI

InChI=1S/C13H12N2O5/c1-8(15(12(14)18)13(19)20)6-7-9-4-2-3-5-10(9)11(16)17/h2-5,8H,1H3,(H2,14,18)(H,16,17)(H,19,20)