3-[bis(oxidanyl)methyl]-5-(propan-2-ylcarbamoyl)benzoic acid

Systemtic Name: 3-[bis(oxidanyl)methyl]-5-(propan-2-ylcarbamoyl)benzoic acid Openeye Name: 3-(dihydroxymethyl)-5-(isopropylcarbamoyl)benzoic acid CAS Name: 3-(dihydroxymethyl)-5-[oxo-(propan-2-ylamino)methyl]benzoic acid IUPAC Name: 3-(dihydroxymethyl)-5-(propan-2-ylcarbamoyl)benzoic acid Traditional Name: 3-(dihydroxymethyl)-5-(isopropylcarbamoyl)benzoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC(=C1)C(O)O)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC(=C1)C(O)O)C(=O)O

InChI

InChI=1S/C12H15NO5/c1-6(2)13-10(14)7-3-8(11(15)16)5-9(4-7)12(17)18/h3-6,11,15-16H,1-2H3,(H,13,14)(H,17,18)