1-nitrooxypropan-2-yl 2-acetyloxybenzoate

Systemtic Name: 1-nitrooxypropan-2-yl 2-acetyloxybenzoate Openeye Name: (1-methyl-2-nitrooxy-ethyl) 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid 1-nitrooxypropan-2-yl ester IUPAC Name: 1-nitrooxypropan-2-yl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid (1-methyl-2-nitrooxy-ethyl) ester Formula: C12H13NO7 MolecularWeight: 283.23412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO[N+](=O)[O-])OC(=O)C1=CC=CC=C1OC(=O)C

Isomeric SMILES

CC(CO[N+](=O)[O-])OC(=O)C1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C12H13NO7/c1-8(7-18-13(16)17)19-12(15)10-5-3-4-6-11(10)20-9(2)14/h3-6,8H,7H2,1-2H3