(phenylmethyl) 3,3-dinitroazetidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3,3-dinitroazetidine-1-carboxylate Openeye Name: benzyl 3,3-dinitroazetidine-1-carboxylate CAS Name: 3,3-dinitro-1-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3,3-dinitroazetidine-1-carboxylate Traditional Name: 3,3-dinitroazetidine-1-carboxylic acid benzyl ester Formula: C11H11N3O6 MolecularWeight: 281.22154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)OCC2=CC=CC=C2)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(CN1C(=O)OCC2=CC=CC=C2)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O6/c15-10(20-6-9-4-2-1-3-5-9)12-7-11(8-12,13(16)17)14(18)19/h1-5H,6-8H2