(4-chloranyl-3,5-dimethyl-phenyl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C16H13ClN2O6 MolecularWeight: 364.73722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O6/c1-8-4-12(5-9(2)15(8)17)25-16(20)11-6-13(18(21)22)10(3)14(7-11)19(23)24/h4-7H,1-3H3