(4-nitrophenyl)methyl 3,5-dinitrobenzoate

Systemtic Name: (4-nitrophenyl)methyl 3,5-dinitrobenzoate Openeye Name: (4-nitrophenyl)methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-nitrobenzyl) ester Formula: C14H9N3O8 MolecularWeight: 347.23656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O8/c18-14(25-8-9-1-3-11(4-2-9)15(19)20)10-5-12(16(21)22)7-13(6-10)17(23)24/h1-7H,8H2