(2-oxidanylideneazepan-3-yl) 3-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 3-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]benzoate Openeye Name: (2-oxoazepan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate CAS Name: 3-[(2,5-dioxo-1-imidazolidinyl)methyl]benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate Traditional Name: 3-[(2,5-diketoimidazolidin-1-yl)methyl]benzoic acid (2-ketoazepan-3-yl) ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC(=CC=C2)CN3C(=O)CNC3=O

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC(=CC=C2)CN3C(=O)CNC3=O

InChI

InChI=1S/C17H19N3O5/c21-14-9-19-17(24)20(14)10-11-4-3-5-12(8-11)16(23)25-13-6-1-2-7-18-15(13)22/h3-5,8,13H,1-2,6-7,9-10H2,(H,18,22)(H,19,24)