butan-2-yl 4-chloranyl-3,5-dinitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN2O6/c1-3-6(2)20-11(15)7-4-8(13(16)17)10(12)9(5-7)14(18)19/h4-6H,3H2,1-2H3