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

Systemtic Name: 4-[(2S)-4-methylpentan-2-yl]oxy-3-nitro-benzoate Openeye Name: 4-[(1S)-1,3-dimethylbutoxy]-3-nitro-benzoate CAS Name: 4-[(2S)-4-methylpentan-2-yl]oxy-3-nitrobenzoate IUPAC Name: 4-[(2S)-4-methylpentan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1S)-1,3-dimethylbutoxy]-3-nitro-benzoate Formula: C13H16NO5- MolecularWeight: 266.26984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-8(2)6-9(3)19-12-5-4-10(13(15)16)7-11(12)14(17)18/h4-5,7-9H,6H2,1-3H3,(H,15,16)/p-1/t9-/m0/s1