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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCO[N+](=O)[O-])OC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

C1=CC(=CC=C1CCO[N+](=O)[O-])OC(=O)C(CC2=CC=C(C=C2)O)N

InChI

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