ethyl 2-acetamido-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: ethyl 2-acetamido-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: ethyl 2-acetamido-3-(4-hydroxy-3-nitro-phenyl)propanoate CAS Name: 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-(4-hydroxy-3-nitrophenyl)propanoate Traditional Name: 2-acetamido-3-(4-hydroxy-3-nitro-phenyl)propionic acid ethyl ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-3-21-13(18)10(14-8(2)16)6-9-4-5-12(17)11(7-9)15(19)20/h4-5,7,10,17H,3,6H2,1-2H3,(H,14,16)