3-nitrooxybutyl 2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: 3-nitrooxybutyl 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: 3-nitrooxybutyl 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid 3-nitrooxybutyl ester IUPAC Name: 3-nitrooxybutyl 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid 3-nitrooxybutyl ester Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C(CC1=CC=C(C=C1)O)N)O[N+](=O)[O-]

Isomeric SMILES

CC(CCOC(=O)C(CC1=CC=C(C=C1)O)N)O[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6/c1-9(21-15(18)19)6-7-20-13(17)12(14)8-10-2-4-11(16)5-3-10/h2-5,9,12,16H,6-8,14H2,1H3