ethyl 3-[2-[4-[4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-2-oxidanylidene-piperazin-1-yl]ethanoylamino]propanoate

Systemtic Name: ethyl 3-[2-[4-[4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-2-oxidanylidene-piperazin-1-yl]ethanoylamino]propanoate Openeye Name: ethyl 3-[[2-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-oxo-piperazin-1-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[4-[4-[(E)-amino(hydroxyimino)methyl]phenyl]-2-oxo-1-piperazinyl]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-oxopiperazin-1-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[4-[4-[(E)-aminocarbohydroximoyl]phenyl]-2-keto-piperazino]acetyl]amino]propionic acid ethyl ester Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)C(=NO)N

Isomeric SMILES

CCOC(=O)CCNC(=O)CN1CCN(CC1=O)C2=CC=C(C=C2)/C(=N\O)/N

InChI

InChI=1S/C18H25N5O5/c1-2-28-17(26)7-8-20-15(24)11-23-10-9-22(12-16(23)25)14-5-3-13(4-6-14)18(19)21-27/h3-6,27H,2,7-12H2,1H3,(H2,19,21)(H,20,24)