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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-9(2)5-6-14(15)13-8-12(16(17)18)7-10(3)11(13)4/h7-9,14H,5-6,15H2,1-4H3/t14-/m0/s1