2-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid

Systemtic Name: 2-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid Openeye Name: 2-[(4-hydroxy-4-oxo-butyl)carbamoyl]benzoic acid CAS Name: 2-[[(4-hydroxy-4-oxobutyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(4-hydroxy-4-oxobutyl)carbamoyl]benzoic acid Traditional Name: 2-[(4-hydroxy-4-keto-butyl)carbamoyl]benzoic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO5/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(17)18/h1-2,4-5H,3,6-7H2,(H,13,16)(H,14,15)(H,17,18)