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

Systemtic Name: (1S,2S)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pentan-1-amine Openeye Name: (1S,2S)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pentan-1-amine CAS Name: (1S,2S)-1-(2-methoxy-5-nitrophenyl)-2-methyl-1-pentanamine IUPAC Name: (1S,2S)-1-(2-methoxy-5-nitrophenyl)-2-methylpentan-1-amine Traditional Name: [(1S,2S)-1-(2-methoxy-5-nitro-phenyl)-2-methyl-pentyl]amine Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-4-5-9(2)13(14)11-8-10(15(16)17)6-7-12(11)18-3/h6-9,13H,4-5,14H2,1-3H3/t9-,13-/m0/s1