1-(3,4-dimethyl-5-nitro-phenyl)butan-1-amine

Systemtic Name: 1-(3,4-dimethyl-5-nitro-phenyl)butan-1-amine Openeye Name: 1-(3,4-dimethyl-5-nitro-phenyl)butan-1-amine CAS Name: 1-(3,4-dimethyl-5-nitrophenyl)-1-butanamine IUPAC Name: 1-(3,4-dimethyl-5-nitrophenyl)butan-1-amine Traditional Name: 1-(3,4-dimethyl-5-nitro-phenyl)butylamine Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-4-5-11(13)10-6-8(2)9(3)12(7-10)14(15)16/h6-7,11H,4-5,13H2,1-3H3