2-[(3-methyl-2-phenoxy-butanoyl)amino]ethyl nitrate

Systemtic Name: 2-[(3-methyl-2-phenoxy-butanoyl)amino]ethyl nitrate Openeye Name: 2-[(3-methyl-2-phenoxy-butanoyl)amino]ethyl nitrate CAS Name: nitric acid 2-[(3-methyl-1-oxo-2-phenoxybutyl)amino]ethyl ester IUPAC Name: 2-[(3-methyl-2-phenoxybutanoyl)amino]ethyl nitrate Traditional Name: nitric acid 2-[(3-methyl-2-phenoxy-butanoyl)amino]ethyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCO[N+](=O)[O-])OC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NCCO[N+](=O)[O-])OC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O5/c1-10(2)12(20-11-6-4-3-5-7-11)13(16)14-8-9-19-15(17)18/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)