(2-azido-2-phenyl-ethyl) 3,5-dinitrobenzoate

Systemtic Name: (2-azido-2-phenyl-ethyl) 3,5-dinitrobenzoate Openeye Name: (2-azido-2-phenyl-ethyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2-azido-2-phenylethyl) ester IUPAC Name: (2-azido-2-phenylethyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2-azido-2-phenyl-ethyl) ester Formula: C15H11N5O6 MolecularWeight: 357.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N5O6/c16-18-17-14(10-4-2-1-3-5-10)9-26-15(21)11-6-12(19(22)23)8-13(7-11)20(24)25/h1-8,14H,9H2