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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)O)C2=CC(=CC(=C2)O)O

Isomeric SMILES

C1CN(CCN(C1)C(=O)O)C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C12H16N2O4/c15-10-6-9(7-11(16)8-10)13-2-1-3-14(5-4-13)12(17)18/h6-8,15-16H,1-5H2,(H,17,18)