(2-methanoylphenyl) 2,2-dimethyl-3-nitrooxy-propanoate

Systemtic Name: (2-methanoylphenyl) 2,2-dimethyl-3-nitrooxy-propanoate Openeye Name: (2-formylphenyl) 2,2-dimethyl-3-nitrooxy-propanoate CAS Name: 2,2-dimethyl-3-nitrooxypropanoic acid (2-formylphenyl) ester IUPAC Name: (2-formylphenyl) 2,2-dimethyl-3-nitrooxypropanoate Traditional Name: 2,2-dimethyl-3-nitrooxy-propionic acid (2-formylphenyl) ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO[N+](=O)[O-])C(=O)OC1=CC=CC=C1C=O

Isomeric SMILES

CC(C)(CO[N+](=O)[O-])C(=O)OC1=CC=CC=C1C=O

InChI

InChI=1S/C12H13NO6/c1-12(2,8-18-13(16)17)11(15)19-10-6-4-3-5-9(10)7-14/h3-7H,8H2,1-2H3