diethyl 2-acetamido-2-[(1S)-2-nitro-1-phenyl-ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(1S)-2-nitro-1-phenyl-ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(1S)-2-nitro-1-phenyl-ethyl]propanedioate CAS Name: 2-acetamido-2-[(1S)-2-nitro-1-phenylethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(1S)-2-nitro-1-phenylethyl]propanedioate Traditional Name: 2-acetamido-2-[(1S)-2-nitro-1-phenyl-ethyl]malonic acid diethyl ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C([C@H](C[N+](=O)[O-])C1=CC=CC=C1)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C17H22N2O7/c1-4-25-15(21)17(18-12(3)20,16(22)26-5-2)14(11-19(23)24)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H,18,20)/t14-/m1/s1