1-[4-(2-methylpropyl)phenyl]-2-nitro-butan-1-ol

Systemtic Name: 1-[4-(2-methylpropyl)phenyl]-2-nitro-butan-1-ol Openeye Name: 1-(4-isobutylphenyl)-2-nitro-butan-1-ol CAS Name: 1-[4-(2-methylpropyl)phenyl]-2-nitro-1-butanol IUPAC Name: 1-[4-(2-methylpropyl)phenyl]-2-nitrobutan-1-ol Traditional Name: 1-(4-isobutylphenyl)-2-nitro-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)CC(C)C)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-4-13(15(17)18)14(16)12-7-5-11(6-8-12)9-10(2)3/h5-8,10,13-14,16H,4,9H2,1-3H3