diethyl 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(3-nitrophenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(3-nitrobenzyl)malonic acid diethyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O7/c1-4-24-14(20)16(17-11(3)19,15(21)25-5-2)10-12-7-6-8-13(9-12)18(22)23/h6-9H,4-5,10H2,1-3H3,(H,17,19)