(2-chloranyl-5-methyl-phenyl) 3,5-dinitrobenzoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 3,5-dinitrobenzoate Openeye Name: (2-chloro-5-methyl-phenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-chloro-5-methyl-phenyl) ester Formula: C14H9ClN2O6 MolecularWeight: 336.68406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN2O6/c1-8-2-3-12(15)13(4-8)23-14(18)9-5-10(16(19)20)7-11(6-9)17(21)22/h2-7H,1H3