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

Systemtic Name: 6-azanyl-2-[nitro(phenyl)amino]hexanoic acid Openeye Name: 6-amino-2-(N-nitroanilino)hexanoic acid CAS Name: 6-amino-2-(N-nitroanilino)hexanoic acid IUPAC Name: 6-amino-2-(N-nitroanilino)hexanoic acid Traditional Name: 6-amino-2-(N-nitroanilino)hexanoic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4/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)