(4-nitrophenyl) 4-cyano-3-phenyl-butanoate

Systemtic Name: (4-nitrophenyl) 4-cyano-3-phenyl-butanoate Openeye Name: (4-nitrophenyl) 4-cyano-3-phenyl-butanoate CAS Name: 4-cyano-3-phenylbutanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-cyano-3-phenylbutanoate Traditional Name: 4-cyano-3-phenyl-butyric acid (4-nitrophenyl) ester Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC#N)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC#N)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4/c18-11-10-14(13-4-2-1-3-5-13)12-17(20)23-16-8-6-15(7-9-16)19(21)22/h1-9,14H,10,12H2