diethyl 2-acetamido-2-[(5-fluoranyl-2-nitro-phenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(5-fluoranyl-2-nitro-phenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(5-fluoro-2-nitro-phenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(5-fluoro-2-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(5-fluoro-2-nitrophenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(5-fluoro-2-nitro-benzyl)malonic acid diethyl ester Formula: C16H19FN2O7 MolecularWeight: 370.329663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=CC(=C1)F)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)F)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C16H19FN2O7/c1-4-25-14(21)16(18-10(3)20,15(22)26-5-2)9-11-8-12(17)6-7-13(11)19(23)24/h6-8H,4-5,9H2,1-3H3,(H,18,20)