O1-tert-butyl O3-[(E)-3-phenylprop-2-enoyl] 2-(4-nitrophenyl)propanedioate

Systemtic Name: O1-tert-butyl O3-[(E)-3-phenylprop-2-enoyl] 2-(4-nitrophenyl)propanedioate Openeye Name: O1-tert-butyl O3-[(E)-3-phenylprop-2-enoyl] 2-(4-nitrophenyl)propanedioate CAS Name: 2-(4-nitrophenyl)propanedioic acid O1-tert-butyl ester O3-[(E)-1-oxo-3-phenylprop-2-enyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[(E)-3-phenylprop-2-enoyl] 2-(4-nitrophenyl)propanedioate Traditional Name: 2-(4-nitrophenyl)malonic acid O1-tert-butyl ester O3-[(E)-3-phenylacryloyl] ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO7/c1-22(2,3)30-21(26)19(16-10-12-17(13-11-16)23(27)28)20(25)29-18(24)14-9-15-7-5-4-6-8-15/h4-14,19H,1-3H3/b14-9+