(6-tert-butyl-3-methyl-2,4-dinitro-phenyl) 2-chloranylethanoate

Systemtic Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) 2-chloranylethanoate Openeye Name: (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) 2-chloroacetate CAS Name: 2-chloroacetic acid (6-tert-butyl-3-methyl-2,4-dinitrophenyl) ester IUPAC Name: (6-tert-butyl-3-methyl-2,4-dinitrophenyl) 2-chloroacetate Traditional Name: 2-chloroacetic acid (6-tert-butyl-3-methyl-2,4-dinitro-phenyl) ester Formula: C13H15ClN2O6 MolecularWeight: 330.721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O6/c1-7-9(15(18)19)5-8(13(2,3)4)12(11(7)16(20)21)22-10(17)6-14/h5H,6H2,1-4H3