(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3,5-dinitrobenzoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O6/c1-9(2)14-8-15(18)10(3)4-16(14)26-17(21)11-5-12(19(22)23)7-13(6-11)20(24)25/h4-9H,1-3H3