[5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-(4-nitrophenyl)azanium chloride

Systemtic Name: [5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-(4-nitrophenyl)azanium chloride Openeye Name: (4-amino-1-carboxy-4-oxo-butyl)-(4-nitrophenyl)ammonium chloride CAS Name: (5-amino-1-hydroxy-1,5-dioxopentan-2-yl)-(4-nitrophenyl)ammonium chloride IUPAC Name: (5-amino-1-hydroxy-1,5-dioxopentan-2-yl)-(4-nitrophenyl)azanium chloride Traditional Name: (4-amino-1-carboxy-4-keto-butyl)-(4-nitrophenyl)ammonium chloride Formula: C11H14ClN3O5 MolecularWeight: 303.69896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[NH2+]C(CCC(=O)N)C(=O)O)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=CC=C1[NH2+]C(CCC(=O)N)C(=O)O)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C11H13N3O5.ClH/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(4-2-7)14(18)19;/h1-4,9,13H,5-6H2,(H2,12,15)(H,16,17);1H