[4-(nitrooxymethyl)phenyl]methyl 2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: [4-(nitrooxymethyl)phenyl]methyl 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: [4-(nitrooxymethyl)phenyl]methyl 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid [4-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [4-(nitrooxymethyl)phenyl]methyl 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid [4-(nitrooxymethyl)benzyl] ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)OCC2=CC=C(C=C2)CO[N+](=O)[O-])N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)OCC2=CC=C(C=C2)CO[N+](=O)[O-])N)O

InChI

InChI=1S/C17H18N2O6/c18-16(9-12-5-7-15(20)8-6-12)17(21)24-10-13-1-3-14(4-2-13)11-25-19(22)23/h1-8,16,20H,9-11,18H2