[4-(4-nitrophenoxy)-2-oxidanyl-butyl] 2-acetamido-3-(4-hydroxyphenyl)propanoate

Systemtic Name: [4-(4-nitrophenoxy)-2-oxidanyl-butyl] 2-acetamido-3-(4-hydroxyphenyl)propanoate Openeye Name: [2-hydroxy-4-(4-nitrophenoxy)butyl] 2-acetamido-3-(4-hydroxyphenyl)propanoate CAS Name: 2-acetamido-3-(4-hydroxyphenyl)propanoic acid [2-hydroxy-4-(4-nitrophenoxy)butyl] ester IUPAC Name: [2-hydroxy-4-(4-nitrophenoxy)butyl] 2-acetamido-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-acetamido-3-(4-hydroxyphenyl)propionic acid [2-hydroxy-4-(4-nitrophenoxy)butyl] ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC(CCOC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OCC(CCOC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C21H24N2O8/c1-14(24)22-20(12-15-2-6-17(25)7-3-15)21(27)31-13-18(26)10-11-30-19-8-4-16(5-9-19)23(28)29/h2-9,18,20,25-26H,10-13H2,1H3,(H,22,24)