[1-cyano-2-(4-nitrophenyl)ethyl] 4-tert-butylbenzoate

Systemtic Name: [1-cyano-2-(4-nitrophenyl)ethyl] 4-tert-butylbenzoate Openeye Name: [1-cyano-2-(4-nitrophenyl)ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [1-cyano-2-(4-nitrophenyl)ethyl] ester IUPAC Name: [1-cyano-2-(4-nitrophenyl)ethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [1-cyano-2-(4-nitrophenyl)ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(CC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(CC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H20N2O4/c1-20(2,3)16-8-6-15(7-9-16)19(23)26-18(13-21)12-14-4-10-17(11-5-14)22(24)25/h4-11,18H,12H2,1-3H3