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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)[N+](=O)[O-])C(CC(C)C)N

Isomeric SMILES

CCC1=C(C=C(C=C1)[N+](=O)[O-])C(CC(C)C)N

InChI

InChI=1S/C13H20N2O2/c1-4-10-5-6-11(15(16)17)8-12(10)13(14)7-9(2)3/h5-6,8-9,13H,4,7,14H2,1-3H3