(1-cyano-2-phenyl-propan-2-yl) 4-nitrobenzoate

Systemtic Name: (1-cyano-2-phenyl-propan-2-yl) 4-nitrobenzoate Openeye Name: (2-cyano-1-methyl-1-phenyl-ethyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-cyano-2-phenylpropan-2-yl) ester IUPAC Name: (1-cyano-2-phenylpropan-2-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-cyano-1-methyl-1-phenyl-ethyl) ester Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CC#N)(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4/c1-17(11-12-18,14-5-3-2-4-6-14)23-16(20)13-7-9-15(10-8-13)19(21)22/h2-10H,11H2,1H3