6-[(3-azanyl-4-nitro-phenyl)amino]hexanoic acid

Systemtic Name: 6-[(3-azanyl-4-nitro-phenyl)amino]hexanoic acid Openeye Name: 6-(3-amino-4-nitro-anilino)hexanoic acid CAS Name: 6-(3-amino-4-nitroanilino)hexanoic acid IUPAC Name: 6-(3-amino-4-nitroanilino)hexanoic acid Traditional Name: 6-(3-amino-4-nitro-anilino)hexanoic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCCCCCC(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NCCCCCC(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4/c13-10-8-9(5-6-11(10)15(18)19)14-7-3-1-2-4-12(16)17/h5-6,8,14H,1-4,7,13H2,(H,16,17)