1-(2-methylpropyl)-3-nitro-5-propyl-benzene

Systemtic Name: 1-(2-methylpropyl)-3-nitro-5-propyl-benzene Openeye Name: 1-isobutyl-3-nitro-5-propyl-benzene CAS Name: 1-(2-methylpropyl)-3-nitro-5-propylbenzene IUPAC Name: 1-(2-methylpropyl)-3-nitro-5-propylbenzene Traditional Name: 1-isobutyl-3-nitro-5-propyl-benzene Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1)[N+](=O)[O-])CC(C)C

Isomeric SMILES

CCCC1=CC(=CC(=C1)[N+](=O)[O-])CC(C)C

InChI

InChI=1S/C13H19NO2/c1-4-5-11-7-12(6-10(2)3)9-13(8-11)14(15)16/h7-10H,4-6H2,1-3H3