(1-phenylcyclobutyl) 3,5-dinitrobenzoate

Systemtic Name: (1-phenylcyclobutyl) 3,5-dinitrobenzoate Openeye Name: (1-phenylcyclobutyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (1-phenylcyclobutyl) ester IUPAC Name: (1-phenylcyclobutyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (1-phenylcyclobutyl) ester Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(C1)(C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6/c20-16(12-9-14(18(21)22)11-15(10-12)19(23)24)25-17(7-4-8-17)13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8H2