[1-(2-methanoylphenyl)-2-nitro-propyl] ethanoate

Systemtic Name: [1-(2-methanoylphenyl)-2-nitro-propyl] ethanoate Openeye Name: [1-(2-formylphenyl)-2-nitro-propyl] acetate CAS Name: acetic acid [1-(2-formylphenyl)-2-nitropropyl] ester IUPAC Name: [1-(2-formylphenyl)-2-nitropropyl] acetate Traditional Name: acetic acid [1-(2-formylphenyl)-2-nitro-propyl] ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1C=O)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(C1=CC=CC=C1C=O)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-8(13(16)17)12(18-9(2)15)11-6-4-3-5-10(11)7-14/h3-8,12H,1-2H3