2-cyanopropan-2-yl 3-nitrobenzoate

Systemtic Name: 2-cyanopropan-2-yl 3-nitrobenzoate Openeye Name: (1-cyano-1-methyl-ethyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (1-cyano-1-methyl-ethyl) ester Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4/c1-11(2,7-12)17-10(14)8-4-3-5-9(6-8)13(15)16/h3-6H,1-2H3