(3-chlorophenyl) 3,5-dinitrobenzoate

Systemtic Name: (3-chlorophenyl) 3,5-dinitrobenzoate Openeye Name: (3-chlorophenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (3-chlorophenyl) ester Formula: C13H7ClN2O6 MolecularWeight: 322.65748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7ClN2O6/c14-9-2-1-3-12(6-9)22-13(17)8-4-10(15(18)19)7-11(5-8)16(20)21/h1-7H