[(E)-2-methylnonan-2-yloxydiazenyl] 4-nitrobenzoate

Systemtic Name: [(E)-2-methylnonan-2-yloxydiazenyl] 4-nitrobenzoate Openeye Name: [(E)-1,1-dimethyloctoxyazo] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-2-methylnonan-2-yloxyazo] ester IUPAC Name: [(E)-2-methylnonan-2-yloxydiazenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-1,1-dimethyloctoxyazo] ester Formula: C17H25N3O5 MolecularWeight: 353.39726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(C)ON=NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(C)(C)O/N=N/[18O]C(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5/c1-4-5-6-7-8-13-17(2,3)25-19-18-24-16(21)14-9-11-15(12-10-14)20(22)23/h9-12H,4-8,13H2,1-3H3/b19-18+/i24+2