ethyl 5-azanyl-2-nitro-4-octoxy-benzoate

Systemtic Name: ethyl 5-azanyl-2-nitro-4-octoxy-benzoate Openeye Name: ethyl 5-amino-2-nitro-4-octoxy-benzoate CAS Name: 5-amino-2-nitro-4-octoxybenzoic acid ethyl ester IUPAC Name: ethyl 5-amino-2-nitro-4-octoxybenzoate Traditional Name: 5-amino-2-nitro-4-octoxy-benzoic acid ethyl ester Formula: C17H26N2O5 MolecularWeight: 338.39874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC)N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC)N

InChI

InChI=1S/C17H26N2O5/c1-3-5-6-7-8-9-10-24-16-12-15(19(21)22)13(11-14(16)18)17(20)23-4-2/h11-12H,3-10,18H2,1-2H3