1-(2,3-dimethyl-5-nitro-phenyl)-3-methyl-butan-1-amine

Systemtic Name: 1-(2,3-dimethyl-5-nitro-phenyl)-3-methyl-butan-1-amine Openeye Name: 1-(2,3-dimethyl-5-nitro-phenyl)-3-methyl-butan-1-amine CAS Name: 1-(2,3-dimethyl-5-nitrophenyl)-3-methyl-1-butanamine IUPAC Name: 1-(2,3-dimethyl-5-nitrophenyl)-3-methylbutan-1-amine Traditional Name: [1-(2,3-dimethyl-5-nitro-phenyl)-3-methyl-butyl]amine Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)C(CC(C)C)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)C(CC(C)C)N)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O2/c1-8(2)5-13(14)12-7-11(15(16)17)6-9(3)10(12)4/h6-8,13H,5,14H2,1-4H3