[(1S)-2-cyano-2-methyl-1-phenyl-propyl] 4-nitrobenzoate

Systemtic Name: [(1S)-2-cyano-2-methyl-1-phenyl-propyl] 4-nitrobenzoate Openeye Name: [(1S)-2-cyano-2-methyl-1-phenyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-2-cyano-2-methyl-1-phenylpropyl] ester IUPAC Name: [(1S)-2-cyano-2-methyl-1-phenylpropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-2-cyano-2-methyl-1-phenyl-propyl] ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-18(2,12-19)16(13-6-4-3-5-7-13)24-17(21)14-8-10-15(11-9-14)20(22)23/h3-11,16H,1-2H3/t16-/m0/s1