2-(dimethylamino)-5-nitro-4-[(2S)-octan-2-yl]oxy-phenol

Systemtic Name: 2-(dimethylamino)-5-nitro-4-[(2S)-octan-2-yl]oxy-phenol Openeye Name: 2-(dimethylamino)-4-[(1S)-1-methylheptoxy]-5-nitro-phenol CAS Name: 2-(dimethylamino)-5-nitro-4-[(2S)-octan-2-yl]oxyphenol IUPAC Name: 2-(dimethylamino)-5-nitro-4-[(2S)-octan-2-yl]oxyphenol Traditional Name: 2-(dimethylamino)-4-[(1S)-1-methylheptoxy]-5-nitro-phenol Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C(=C1)N(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)OC1=C(C=C(C(=C1)N(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O4/c1-5-6-7-8-9-12(2)22-16-11-13(17(3)4)15(19)10-14(16)18(20)21/h10-12,19H,5-9H2,1-4H3/t12-/m0/s1