tert-butyl 4-chloranyl-3,5-dinitro-benzoate

Systemtic Name: tert-butyl 4-chloranyl-3,5-dinitro-benzoate Openeye Name: tert-butyl 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid tert-butyl ester Formula: C11H11ClN2O6 MolecularWeight: 302.66784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN2O6/c1-11(2,3)20-10(15)6-4-7(13(16)17)9(12)8(5-6)14(18)19/h4-5H,1-3H3