3-nitro-4-[(2S)-octan-2-yl]oxy-benzoate

Systemtic Name: 3-nitro-4-[(2S)-octan-2-yl]oxy-benzoate Openeye Name: 4-[(1S)-1-methylheptoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[(2S)-octan-2-yl]oxybenzoate IUPAC Name: 3-nitro-4-[(2S)-octan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-1-methylheptoxy]-3-nitro-benzoate Formula: C15H20NO5- MolecularWeight: 294.323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)OC1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-3-4-5-6-7-11(2)21-14-9-8-12(15(17)18)10-13(14)16(19)20/h8-11H,3-7H2,1-2H3,(H,17,18)/p-1/t11-/m0/s1