[N'-[3-(4-nitrophenyl)carbonyloxypropyl]carbamimidoyl]azanium chloride

Systemtic Name: [N'-[3-(4-nitrophenyl)carbonyloxypropyl]carbamimidoyl]azanium chloride Openeye Name: [N'-[3-(4-nitrobenzoyl)oxypropyl]carbamimidoyl]ammonium chloride CAS Name: [amino-[3-[(4-nitrophenyl)-oxomethoxy]propylimino]methyl]ammonium chloride IUPAC Name: [N'-[3-(4-nitrobenzoyl)oxypropyl]carbamimidoyl]azanium chloride Traditional Name: [N'-[3-(4-nitrobenzoyl)oxypropyl]amidino]ammonium chloride Formula: C11H15ClN4O4 MolecularWeight: 302.7142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCN=C([NH3+])N)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCN=C([NH3+])N)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C11H14N4O4.ClH/c12-11(13)14-6-1-7-19-10(16)8-2-4-9(5-3-8)15(17)18;/h2-5H,1,6-7H2,(H4,12,13,14);1H