(3-nitro-2-propanoyloxy-5-quinoxalin-2-yl-phenyl) propanoate

Systemtic Name: (3-nitro-2-propanoyloxy-5-quinoxalin-2-yl-phenyl) propanoate Openeye Name: (3-nitro-2-propanoyloxy-5-quinoxalin-2-yl-phenyl) propanoate CAS Name: propanoic acid [3-nitro-2-(1-oxopropoxy)-5-(2-quinoxalinyl)phenyl] ester IUPAC Name: (3-nitro-2-propanoyloxy-5-quinoxalin-2-ylphenyl) propanoate Traditional Name: propionic acid (3-nitro-2-propionyloxy-5-quinoxalin-2-yl-phenyl) ester Formula: C20H17N3O6 MolecularWeight: 395.36548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCC(=O)OC1=CC(=CC(=C1OC(=O)CC)[N+](=O)[O-])C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C20H17N3O6/c1-3-18(24)28-17-10-12(9-16(23(26)27)20(17)29-19(25)4-2)15-11-21-13-7-5-6-8-14(13)22-15/h5-11H,3-4H2,1-2H3