2-cyanopropan-2-yl 3,5-dinitrobenzoate

Systemtic Name: 2-cyanopropan-2-yl 3,5-dinitrobenzoate Openeye Name: (1-cyano-1-methyl-ethyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (1-cyano-1-methyl-ethyl) ester Formula: C11H9N3O6 MolecularWeight: 279.20566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#N)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O6/c1-11(2,6-12)20-10(15)7-3-8(13(16)17)5-9(4-7)14(18)19/h3-5H,1-2H3