(2-butan-2-yl-4,6-dinitro-phenyl) 2-chloranylbutanoate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) 2-chloranylbutanoate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) 2-chlorobutanoate CAS Name: 2-chlorobutanoic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) 2-chlorobutanoate Traditional Name: 2-chlorobutyric acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C14H17ClN2O6 MolecularWeight: 344.74758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC(=O)C(CC)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC(=O)C(CC)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17ClN2O6/c1-4-8(3)10-6-9(16(19)20)7-12(17(21)22)13(10)23-14(18)11(15)5-2/h6-8,11H,4-5H2,1-3H3