(2-cyano-1-phenyl-propyl) 4-nitrobenzoate

Systemtic Name: (2-cyano-1-phenyl-propyl) 4-nitrobenzoate Openeye Name: (2-cyano-1-phenyl-propyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-cyano-1-phenylpropyl) ester IUPAC Name: (2-cyano-1-phenylpropyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-cyano-1-phenyl-propyl) ester Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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