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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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