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

Systemtic Name: (1S)-4-methyl-1-(2-methyl-5-nitro-phenyl)pentan-1-amine Openeye Name: (1S)-4-methyl-1-(2-methyl-5-nitro-phenyl)pentan-1-amine CAS Name: (1S)-4-methyl-1-(2-methyl-5-nitrophenyl)-1-pentanamine IUPAC Name: (1S)-4-methyl-1-(2-methyl-5-nitrophenyl)pentan-1-amine Traditional Name: [(1S)-4-methyl-1-(2-methyl-5-nitro-phenyl)pentyl]amine Formula: C13H20N2O2 MolecularWeight: 236.3101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-9(2)4-7-13(14)12-8-11(15(16)17)6-5-10(12)3/h5-6,8-9,13H,4,7,14H2,1-3H3/t13-/m0/s1