[1-(4-cyanophenyl)-2-methyl-2-nitro-propyl] ethanoate

Systemtic Name: [1-(4-cyanophenyl)-2-methyl-2-nitro-propyl] ethanoate Openeye Name: [1-(4-cyanophenyl)-2-methyl-2-nitro-propyl] acetate CAS Name: acetic acid [1-(4-cyanophenyl)-2-methyl-2-nitropropyl] ester IUPAC Name: [1-(4-cyanophenyl)-2-methyl-2-nitropropyl] acetate Traditional Name: acetic acid [1-(4-cyanophenyl)-2-methyl-2-nitro-propyl] ester Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-9(16)19-12(13(2,3)15(17)18)11-6-4-10(8-14)5-7-11/h4-7,12H,1-3H3