(4-chloranyl-3,5-dimethyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C15H11ClN2O6 MolecularWeight: 350.71064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClN2O6/c1-8-3-13(4-9(2)14(8)16)24-15(19)10-5-11(17(20)21)7-12(6-10)18(22)23/h3-7H,1-2H3