[3-(2-chloranylpropyl)phenyl] 2-methyl-2-nitro-propanoate

Systemtic Name: [3-(2-chloranylpropyl)phenyl] 2-methyl-2-nitro-propanoate Openeye Name: [3-(2-chloropropyl)phenyl] 2-methyl-2-nitro-propanoate CAS Name: 2-methyl-2-nitropropanoic acid [3-(2-chloropropyl)phenyl] ester IUPAC Name: [3-(2-chloropropyl)phenyl] 2-methyl-2-nitropropanoate Traditional Name: 2-methyl-2-nitro-propionic acid [3-(2-chloropropyl)phenyl] ester Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)OC(=O)C(C)(C)[N+](=O)[O-])Cl

Isomeric SMILES

CC(CC1=CC(=CC=C1)OC(=O)C(C)(C)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClNO4/c1-9(14)7-10-5-4-6-11(8-10)19-12(16)13(2,3)15(17)18/h4-6,8-9H,7H2,1-3H3