(phenylmethyl) 3,5-dinitrobenzoate

Systemtic Name: (phenylmethyl) 3,5-dinitrobenzoate Openeye Name: benzyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid benzyl ester Formula: C14H10N2O6 MolecularWeight: 302.239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O6/c17-14(22-9-10-4-2-1-3-5-10)11-6-12(15(18)19)8-13(7-11)16(20)21/h1-8H,9H2