2-[3,5-bis(oxidanyl)phenyl]-1,4-diazepane-1-carboxylic acid

Systemtic Name: 2-[3,5-bis(oxidanyl)phenyl]-1,4-diazepane-1-carboxylic acid Openeye Name: 2-(3,5-dihydroxyphenyl)-1,4-diazepane-1-carboxylic acid CAS Name: 2-(3,5-dihydroxyphenyl)-1,4-diazepane-1-carboxylic acid IUPAC Name: 2-(3,5-dihydroxyphenyl)-1,4-diazepane-1-carboxylic acid Traditional Name: 2-(3,5-dihydroxyphenyl)-1,4-diazepane-1-carboxylic acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(N(C1)C(=O)O)C2=CC(=CC(=C2)O)O

Isomeric SMILES

C1CNCC(N(C1)C(=O)O)C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C12H16N2O4/c15-9-4-8(5-10(16)6-9)11-7-13-2-1-3-14(11)12(17)18/h4-6,11,13,15-16H,1-3,7H2,(H,17,18)