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

Systemtic Name: propan-2-yl 4-chloranyl-3,5-dinitro-benzoate Openeye Name: isopropyl 4-chloro-3,5-dinitro-benzoate CAS Name: 4-chloro-3,5-dinitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-chloro-3,5-dinitrobenzoate Traditional Name: 4-chloro-3,5-dinitro-benzoic acid isopropyl ester Formula: C10H9ClN2O6 MolecularWeight: 288.64126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9ClN2O6/c1-5(2)19-10(14)6-3-7(12(15)16)9(11)8(4-6)13(17)18/h3-5H,1-2H3