O1-ethyl O3-methyl 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioate

Systemtic Name: O1-ethyl O3-methyl 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioate Openeye Name: O1-ethyl O3-methyl 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioate CAS Name: 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 2-ethyl-2-[(3-nitrophenyl)methyl]propanedioate Traditional Name: 2-ethyl-2-(3-nitrobenzyl)malonic acid O1-ethyl ester O3-methyl ester Formula: C15H19NO6 MolecularWeight: 309.31446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)[N+](=O)[O-])(C(=O)OC)C(=O)OCC

Isomeric SMILES

CCC(CC1=CC(=CC=C1)[N+](=O)[O-])(C(=O)OC)C(=O)OCC

InChI

InChI=1S/C15H19NO6/c1-4-15(13(17)21-3,14(18)22-5-2)10-11-7-6-8-12(9-11)16(19)20/h6-9H,4-5,10H2,1-3H3