3-(pyridin-4-ylcarbonylamino)azepane-1-carboperoxoic acid

Systemtic Name: 3-(pyridin-4-ylcarbonylamino)azepane-1-carboperoxoic acid Openeye Name: 3-(pyridine-4-carbonylamino)azepane-1-carboperoxoic acid CAS Name: 3-[[oxo(pyridin-4-yl)methyl]amino]-1-azepanecarboperoxoic acid IUPAC Name: 3-(pyridine-4-carbonylamino)azepane-1-carboperoxoic acid Traditional Name: 3-isonicotinamidoazepane-1-carboperoxoic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)NC(=O)C2=CC=NC=C2)C(=O)OO

Isomeric SMILES

C1CCN(CC(C1)NC(=O)C2=CC=NC=C2)C(=O)OO

InChI

InChI=1S/C13H17N3O4/c17-12(10-4-6-14-7-5-10)15-11-3-1-2-8-16(9-11)13(18)20-19/h4-7,11,19H,1-3,8-9H2,(H,15,17)