2-(dimethylamino)-2-(3-nitro-4-octan-2-yloxy-phenyl)ethanoate

Systemtic Name: 2-(dimethylamino)-2-(3-nitro-4-octan-2-yloxy-phenyl)ethanoate Openeye Name: 2-(dimethylamino)-2-[4-(1-methylheptoxy)-3-nitro-phenyl]acetate CAS Name: 2-(dimethylamino)-2-(3-nitro-4-octan-2-yloxyphenyl)acetate IUPAC Name: 2-(dimethylamino)-2-(3-nitro-4-octan-2-yloxyphenyl)acetate Traditional Name: 2-(dimethylamino)-2-[4-(1-methylheptoxy)-3-nitro-phenyl]acetate Formula: C18H27N2O5- MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-5-6-7-8-9-13(2)25-16-11-10-14(12-15(16)20(23)24)17(18(21)22)19(3)4/h10-13,17H,5-9H2,1-4H3,(H,21,22)/p-1