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

Systemtic Name: ethyl 3-(3-nitrophenyl)-3-oxidanyl-2-(propanoylamino)propanoate Openeye Name: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(propanoylamino)propanoate CAS Name: 3-hydroxy-3-(3-nitrophenyl)-2-(1-oxopropylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-3-(3-nitrophenyl)-2-(propanoylamino)propanoate Traditional Name: 3-hydroxy-3-(3-nitrophenyl)-2-propionamido-propionic acid ethyl ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6/c1-3-11(17)15-12(14(19)22-4-2)13(18)9-6-5-7-10(8-9)16(20)21/h5-8,12-13,18H,3-4H2,1-2H3,(H,15,17)