azane; 2-(1-azanylpropan-2-yloxymethyl)-3-nitro-6-(2-oxidanylpropyl)phenol; hydrate

Systemtic Name: azane; 2-(1-azanylpropan-2-yloxymethyl)-3-nitro-6-(2-oxidanylpropyl)phenol; hydrate Openeye Name: 2-[(2-amino-1-methyl-ethoxy)methyl]-6-(2-hydroxypropyl)-3-nitro-phenol; ammonia; hydrate CAS Name: 2-(1-aminopropan-2-yloxymethyl)-6-(2-hydroxypropyl)-3-nitrophenol; ammonia; hydrate IUPAC Name: 2-(1-aminopropan-2-yloxymethyl)-6-(2-hydroxypropyl)-3-nitrophenol; azane; hydrate Traditional Name: 2-[(2-amino-1-methyl-ethoxy)methyl]-6-(2-hydroxypropyl)-3-nitro-phenol; ammonia; hydrate Formula: C13H25N3O6 MolecularWeight: 319.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=C(C=C1)[N+](=O)[O-])COC(C)CN)O)O.N.O

Isomeric SMILES

CC(CC1=C(C(=C(C=C1)[N+](=O)[O-])COC(C)CN)O)O.N.O

InChI

InChI=1S/C13H20N2O5.H3N.H2O/c1-8(16)5-10-3-4-12(15(18)19)11(13(10)17)7-20-9(2)6-14;;/h3-4,8-9,16-17H,5-7,14H2,1-2H3;1H3;1H2