6-nitrooxyhexyl 2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: 6-nitrooxyhexyl 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: 6-nitrooxyhexyl 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid 6-nitrooxyhexyl ester IUPAC Name: 6-nitrooxyhexyl 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid 6-nitrooxyhexyl ester Formula: C15H22N2O6 MolecularWeight: 326.34498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)OCCCCCCO[N+](=O)[O-])N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)OCCCCCCO[N+](=O)[O-])N)O

InChI

InChI=1S/C15H22N2O6/c16-14(11-12-5-7-13(18)8-6-12)15(19)22-9-3-1-2-4-10-23-17(20)21/h5-8,14,18H,1-4,9-11,16H2