3-[[2,4-bis(oxidanyl)phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[2,4-bis(oxidanyl)phenyl]methylamino]azepan-2-one Openeye Name: 3-[(2,4-dihydroxyphenyl)methylamino]azepan-2-one CAS Name: 3-[(2,4-dihydroxyphenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2,4-dihydroxyphenyl)methylamino]azepan-2-one Traditional Name: 3-[(2,4-dihydroxybenzyl)amino]azepan-2-one Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=C(C=C(C=C2)O)O

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=C(C=C(C=C2)O)O

InChI

InChI=1S/C13H18N2O3/c16-10-5-4-9(12(17)7-10)8-15-11-3-1-2-6-14-13(11)18/h4-5,7,11,15-17H,1-3,6,8H2,(H,14,18)