ethyl 4-nitro-2-(2-octoxyethanoylamino)benzoate

Systemtic Name: ethyl 4-nitro-2-(2-octoxyethanoylamino)benzoate Openeye Name: ethyl 4-nitro-2-[(2-octoxyacetyl)amino]benzoate CAS Name: 4-nitro-2-[(2-octoxy-1-oxoethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-nitro-2-[(2-octoxyacetyl)amino]benzoate Traditional Name: 4-nitro-2-[(2-octoxyacetyl)amino]benzoic acid ethyl ester Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCCCOCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H28N2O6/c1-3-5-6-7-8-9-12-26-14-18(22)20-17-13-15(21(24)25)10-11-16(17)19(23)27-4-2/h10-11,13H,3-9,12,14H2,1-2H3,(H,20,22)