6-[(4-azido-2-nitro-phenyl)amino]hexanoate

Systemtic Name: 6-[(4-azido-2-nitro-phenyl)amino]hexanoate Openeye Name: 6-(4-azido-2-nitro-anilino)hexanoate CAS Name: 6-(4-azido-2-nitroanilino)hexanoate IUPAC Name: 6-(4-azido-2-nitroanilino)hexanoate Traditional Name: 6-(4-azido-2-nitro-anilino)hexanoate Formula: C12H14N5O4- MolecularWeight: 292.27066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCCCCC(=O)[O-]

InChI

InChI=1S/C12H15N5O4/c13-16-15-9-5-6-10(11(8-9)17(20)21)14-7-3-1-2-4-12(18)19/h5-6,8,14H,1-4,7H2,(H,18,19)/p-1