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

Systemtic Name: 6-[(3-azanyl-4-nitro-phenyl)amino]hexanoate Openeye Name: 6-(3-amino-4-nitro-anilino)hexanoate CAS Name: 6-(3-amino-4-nitroanilino)hexanoate IUPAC Name: 6-(3-amino-4-nitroanilino)hexanoate Traditional Name: 6-(3-amino-4-nitro-anilino)hexanoate Formula: C12H16N3O4- MolecularWeight: 266.27314

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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)/p-1