6-azanyl-2-[(4-nitrophenyl)amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[(4-nitrophenyl)amino]hexanoic acid Openeye Name: 6-amino-2-(4-nitroanilino)hexanoic acid CAS Name: 6-amino-2-(4-nitroanilino)hexanoic acid IUPAC Name: 6-amino-2-(4-nitroanilino)hexanoic acid Traditional Name: 6-amino-2-(4-nitroanilino)hexanoic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(CCCCN)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(CCCCN)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4/c13-8-2-1-3-11(12(16)17)14-9-4-6-10(7-5-9)15(18)19/h4-7,11,14H,1-3,8,13H2,(H,16,17)