3-(4-ethoxy-3-nitro-phenyl)carbonyloxypropyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: 3-(4-ethoxy-3-nitro-phenyl)carbonyloxypropyl 4-ethoxy-3-nitro-benzoate Openeye Name: 3-(4-ethoxy-3-nitro-benzoyl)oxypropyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid 3-[(4-ethoxy-3-nitrophenyl)-oxomethoxy]propyl ester IUPAC Name: 3-(4-ethoxy-3-nitrobenzoyl)oxypropyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid 3-(4-ethoxy-3-nitro-benzoyl)oxypropyl ester Formula: C21H22N2O10 MolecularWeight: 462.40678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCCCOC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCCCOC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O10/c1-3-30-18-8-6-14(12-16(18)22(26)27)20(24)32-10-5-11-33-21(25)15-7-9-19(31-4-2)17(13-15)23(28)29/h6-9,12-13H,3-5,10-11H2,1-2H3