(4-acetamidophenyl) 3-(nitrooxymethyl)benzoate

Systemtic Name: (4-acetamidophenyl) 3-(nitrooxymethyl)benzoate Openeye Name: (4-acetamidophenyl) 3-(nitrooxymethyl)benzoate CAS Name: 3-(nitrooxymethyl)benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-(nitrooxymethyl)benzoate Traditional Name: 3-(nitrooxymethyl)benzoic acid (4-acetamidophenyl) ester Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)CO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)CO[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-11(19)17-14-5-7-15(8-6-14)24-16(20)13-4-2-3-12(9-13)10-23-18(21)22/h2-9H,10H2,1H3,(H,17,19)