[4-(nitrooxymethyl)phenyl]methyl 2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: [4-(nitrooxymethyl)phenyl]methyl 2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: [4-(nitrooxymethyl)phenyl]methyl 2-amino-6-(tert-butoxycarbonylamino)hexanoate CAS Name: 2-amino-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid [4-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [4-(nitrooxymethyl)phenyl]methyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: 2-amino-6-(tert-butoxycarbonylamino)hexanoic acid [4-(nitrooxymethyl)benzyl] ester Formula: C19H29N3O7 MolecularWeight: 411.44946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)OCC1=CC=C(C=C1)CO[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(C(=O)OCC1=CC=C(C=C1)CO[N+](=O)[O-])N

InChI

InChI=1S/C19H29N3O7/c1-19(2,3)29-18(24)21-11-5-4-6-16(20)17(23)27-12-14-7-9-15(10-8-14)13-28-22(25)26/h7-10,16H,4-6,11-13,20H2,1-3H3,(H,21,24)