ethyl 3-acetyloxy-3-(3-nitrophenyl)-2-(propanoylamino)propanoate

Systemtic Name: ethyl 3-acetyloxy-3-(3-nitrophenyl)-2-(propanoylamino)propanoate Openeye Name: ethyl 3-acetoxy-3-(3-nitrophenyl)-2-(propanoylamino)propanoate CAS Name: 3-acetyloxy-3-(3-nitrophenyl)-2-(1-oxopropylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-acetyloxy-3-(3-nitrophenyl)-2-(propanoylamino)propanoate Traditional Name: 3-acetoxy-3-(3-nitrophenyl)-2-propionamido-propionic acid ethyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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