[4-[(Z)-N'-oxidanylcarbamimidoyl]piperidin-4-yl] 2-benzamido-3-oxidanylidene-pentaneperoxoate

Systemtic Name: [4-[(Z)-N'-oxidanylcarbamimidoyl]piperidin-4-yl] 2-benzamido-3-oxidanylidene-pentaneperoxoate Openeye Name: [4-[(Z)-N'-hydroxycarbamimidoyl]-4-piperidyl] 2-benzamido-3-oxo-pentaneperoxoate CAS Name: 2-benzamido-3-oxopentaneperoxoic acid [4-[(Z)-amino(hydroxyimino)methyl]-4-piperidinyl] ester IUPAC Name: [4-[(Z)-N'-hydroxycarbamimidoyl]piperidin-4-yl] 2-benzamido-3-oxopentaneperoxoate Traditional Name: 2-benzamido-3-keto-peroxyvaleric acid [4-[(Z)-aminocarbohydroximoyl]-4-piperidyl] ester Formula: C18H24N4O6 MolecularWeight: 392.40636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)OOC1(CCNCC1)C(=NO)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)C(C(=O)OOC1(CCNCC1)/C(=N/O)/N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N4O6/c1-2-13(23)14(21-15(24)12-6-4-3-5-7-12)16(25)27-28-18(17(19)22-26)8-10-20-11-9-18/h3-7,14,20,26H,2,8-11H2,1H3,(H2,19,22)(H,21,24)