O3-tert-butyl O1-[(4-nitrophenyl)methyl] propanedioate

Systemtic Name: O3-tert-butyl O1-[(4-nitrophenyl)methyl] propanedioate Openeye Name: O3-tert-butyl O1-[(4-nitrophenyl)methyl] propanedioate CAS Name: propanedioic acid O3-tert-butyl ester O1-[(4-nitrophenyl)methyl] ester IUPAC Name: 3-O-tert-butyl 1-O-[(4-nitrophenyl)methyl] propanedioate Traditional Name: malonic acid O3-tert-butyl ester O1-(4-nitrobenzyl) ester Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO6/c1-14(2,3)21-13(17)8-12(16)20-9-10-4-6-11(7-5-10)15(18)19/h4-7H,8-9H2,1-3H3