(4-acetamidophenyl) 3-(2-nitrooxyethoxy)propanoate

Systemtic Name: (4-acetamidophenyl) 3-(2-nitrooxyethoxy)propanoate Openeye Name: (4-acetamidophenyl) 3-(2-nitrooxyethoxy)propanoate CAS Name: 3-(2-nitrooxyethoxy)propanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-(2-nitrooxyethoxy)propanoate Traditional Name: 3-(2-nitrooxyethoxy)propionic acid (4-acetamidophenyl) ester Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O7/c1-10(16)14-11-2-4-12(5-3-11)22-13(17)6-7-20-8-9-21-15(18)19/h2-5H,6-9H2,1H3,(H,14,16)