4-azido-2-nitro-aniline; hexanoate

Systemtic Name: 4-azido-2-nitro-aniline; hexanoate Openeye Name: 4-azido-2-nitro-aniline; hexanoate CAS Name: 4-azido-2-nitroaniline; hexanoate IUPAC Name: 4-azido-2-nitroaniline; hexanoate Traditional Name: (4-azido-2-nitro-phenyl)amine; hexanoate Formula: C12H16N5O4- MolecularWeight: 294.28654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5N5O2.C6H12O2/c7-5-2-1-4(9-10-8)3-6(5)11(12)13;1-2-3-4-5-6(7)8/h1-3H,7H2;2-5H2,1H3,(H,7,8)/p-1