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

Systemtic Name: 1-(2-ethyl-5-nitro-phenyl)-2-methyl-butan-1-amine Openeye Name: 1-(2-ethyl-5-nitro-phenyl)-2-methyl-butan-1-amine CAS Name: 1-(2-ethyl-5-nitrophenyl)-2-methyl-1-butanamine IUPAC Name: 1-(2-ethyl-5-nitrophenyl)-2-methylbutan-1-amine Traditional Name: [1-(2-ethyl-5-nitro-phenyl)-2-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(C(C)CC)N

Isomeric SMILES

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

InChI

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