6-azanyl-2-[nitro(phenyl)amino]hexanoic acid hydrochloride

Systemtic Name: 6-azanyl-2-[nitro(phenyl)amino]hexanoic acid hydrochloride Openeye Name: 6-amino-2-(N-nitroanilino)hexanoic acid hydrochloride CAS Name: 6-amino-2-(N-nitroanilino)hexanoic acid hydrochloride IUPAC Name: 6-amino-2-(N-nitroanilino)hexanoic acid hydrochloride Traditional Name: 6-amino-2-(N-nitroanilino)hexanoic acid hydrochloride Formula: C12H18ClN3O4 MolecularWeight: 303.74202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4.ClH/c13-9-5-4-8-11(12(16)17)14(15(18)19)10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9,13H2,(H,16,17);1H