azanyl 5-azanyl-2-[(4-hydroxyphenyl)methyl-[(E)-N'-nitrocarbamimidoyl]amino]pentanoate

Systemtic Name: azanyl 5-azanyl-2-[(4-hydroxyphenyl)methyl-[(E)-N'-nitrocarbamimidoyl]amino]pentanoate Openeye Name: amino 5-amino-2-[(4-hydroxyphenyl)methyl-[(E)-N'-nitrocarbamimidoyl]amino]pentanoate CAS Name: 5-amino-2-[[(E)-amino(nitroimino)methyl]-[(4-hydroxyphenyl)methyl]amino]pentanoic acid amino ester IUPAC Name: amino 5-amino-2-[(4-hydroxyphenyl)methyl-[(E)-N'-nitrocarbamimidoyl]amino]pentanoate Traditional Name: 5-amino-2-[(4-hydroxybenzyl)-[(E)-N'-nitroamidino]amino]valeric acid amino ester Formula: C13H20N6O5 MolecularWeight: 340.3351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C(CCCN)C(=O)ON)C(=N[N+](=O)[O-])N)O

Isomeric SMILES

C1=CC(=CC=C1CN(C(CCCN)C(=O)ON)/C(=N/[N+](=O)[O-])/N)O

InChI

InChI=1S/C13H20N6O5/c14-7-1-2-11(12(21)24-16)18(13(15)17-19(22)23)8-9-3-5-10(20)6-4-9/h3-6,11,20H,1-2,7-8,14,16H2,(H2,15,17)