O1-ethyl O3-[(4-nitrophenyl)methyl] propanedioate

Systemtic Name: O1-ethyl O3-[(4-nitrophenyl)methyl] propanedioate Openeye Name: O1-ethyl O3-[(4-nitrophenyl)methyl] propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[(4-nitrophenyl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(4-nitrophenyl)methyl] propanedioate Traditional Name: malonic acid O1-ethyl ester O3-(4-nitrobenzyl) ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-2-18-11(14)7-12(15)19-8-9-3-5-10(6-4-9)13(16)17/h3-6H,2,7-8H2,1H3