O4-tert-butyl O1-(phenylmethyl) 2-[(Z)-N'-oxidanylcarbamimidoyl]piperazine-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-[(Z)-N'-oxidanylcarbamimidoyl]piperazine-1,4-dicarboxylate Openeye Name: O1-benzyl O4-tert-butyl 2-[(Z)-N'-hydroxycarbamimidoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[(Z)-amino(hydroxyimino)methyl]piperazine-1,4-dicarboxylic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-[(Z)-N'-hydroxycarbamimidoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[(Z)-aminocarbohydroximoyl]piperazine-1,4-dicarboxylic acid O1-benzyl ester O4-tert-butyl ester Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=NO)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)/C(=N/O)/N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H26N4O5/c1-18(2,3)27-16(23)21-9-10-22(14(11-21)15(19)20-25)17(24)26-12-13-7-5-4-6-8-13/h4-8,14,25H,9-12H2,1-3H3,(H2,19,20)