2-methylpropyl 4-chloranyl-3,5-dinitro-benzoate

Systemtic Name: 2-methylpropyl 4-chloranyl-3,5-dinitro-benzoate Openeye Name: isobutyl 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid isobutyl ester Formula: C11H11ClN2O6 MolecularWeight: 302.66784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN2O6/c1-6(2)5-20-11(15)7-3-8(13(16)17)10(12)9(4-7)14(18)19/h3-4,6H,5H2,1-2H3