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

Systemtic Name: [4-(4-nitrophenoxy)-2-oxidanyl-butyl] 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: [2-hydroxy-4-(4-nitrophenoxy)butyl] 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid [2-hydroxy-4-(4-nitrophenoxy)butyl] ester IUPAC Name: [2-hydroxy-4-(4-nitrophenoxy)butyl] 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid [2-hydroxy-4-(4-nitrophenoxy)butyl] ester Formula: C19H22N2O7 MolecularWeight: 390.38718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)OCC(CCOC2=CC=C(C=C2)[N+](=O)[O-])O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)OCC(CCOC2=CC=C(C=C2)[N+](=O)[O-])O)N)O

InChI

InChI=1S/C19H22N2O7/c20-18(11-13-1-5-15(22)6-2-13)19(24)28-12-16(23)9-10-27-17-7-3-14(4-8-17)21(25)26/h1-8,16,18,22-23H,9-12,20H2