2-(2-nitrooxyethylamino)ethyl 2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: 2-(2-nitrooxyethylamino)ethyl 2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: 2-(2-nitrooxyethylamino)ethyl 2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid 2-(2-nitrooxyethylamino)ethyl ester IUPAC Name: 2-(2-nitrooxyethylamino)ethyl 2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid 2-(2-nitrooxyethylamino)ethyl ester Formula: C13H19N3O6 MolecularWeight: 313.30646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O6/c14-12(9-10-1-3-11(17)4-2-10)13(18)21-7-5-15-6-8-22-16(19)20/h1-4,12,15,17H,5-9,14H2