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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(CCC(C)C)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)[C@H](CCC(C)C)N)[N+](=O)[O-])C

InChI

InChI=1S/C14H22N2O2/c1-9(2)5-6-13(15)12-7-10(3)11(4)14(8-12)16(17)18/h7-9,13H,5-6,15H2,1-4H3/t13-/m0/s1