ethyl 4-nitro-2-[2-octoxyethanoyl(propyl)amino]benzoate

Systemtic Name: ethyl 4-nitro-2-[2-octoxyethanoyl(propyl)amino]benzoate Openeye Name: ethyl 4-nitro-2-[(2-octoxyacetyl)-propyl-amino]benzoate CAS Name: 4-nitro-2-[(2-octoxy-1-oxoethyl)-propylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-nitro-2-[(2-octoxyacetyl)-propylamino]benzoate Traditional Name: 4-nitro-2-[(2-octoxyacetyl)-propyl-amino]benzoic acid ethyl ester Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(=O)N(CCC)C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCCCOCC(=O)N(CCC)C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H34N2O6/c1-4-7-8-9-10-11-15-29-17-21(25)23(14-5-2)20-16-18(24(27)28)12-13-19(20)22(26)30-6-3/h12-13,16H,4-11,14-15,17H2,1-3H3