1-(4-butan-2-ylphenyl)-2-nitro-butan-1-ol

Systemtic Name: 1-(4-butan-2-ylphenyl)-2-nitro-butan-1-ol Openeye Name: 2-nitro-1-(4-sec-butylphenyl)butan-1-ol CAS Name: 1-(4-butan-2-ylphenyl)-2-nitro-1-butanol IUPAC Name: 1-(4-butan-2-ylphenyl)-2-nitrobutan-1-ol Traditional Name: 2-nitro-1-(4-sec-butylphenyl)butan-1-ol Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-4-10(3)11-6-8-12(9-7-11)14(16)13(5-2)15(17)18/h6-10,13-14,16H,4-5H2,1-3H3