(1S,2S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-pentan-1-amine

Systemtic Name: (1S,2S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-pentan-1-amine Openeye Name: (1S,2S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-pentan-1-amine CAS Name: (1S,2S)-1-(3,4-dimethyl-5-nitrophenyl)-2-methyl-1-pentanamine IUPAC Name: (1S,2S)-1-(3,4-dimethyl-5-nitrophenyl)-2-methylpentan-1-amine Traditional Name: [(1S,2S)-1-(3,4-dimethyl-5-nitro-phenyl)-2-methyl-pentyl]amine Formula: C14H22N2O2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)[C@@H](C1=CC(=C(C(=C1)[N+](=O)[O-])C)C)N

InChI

InChI=1S/C14H22N2O2/c1-5-6-9(2)14(15)12-7-10(3)11(4)13(8-12)16(17)18/h7-9,14H,5-6,15H2,1-4H3/t9-,14-/m0/s1