1-cyanopropan-2-yl 3-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4/c1-8(5-6-12)17-11(14)9-3-2-4-10(7-9)13(15)16/h2-4,7-8H,5H2,1H3