(2S)-1-[bis(hydroxymethyl)amino]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol

Systemtic Name: (2S)-1-[bis(hydroxymethyl)amino]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol Openeye Name: (2S)-1-[bis(hydroxymethyl)amino]-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propan-2-ol CAS Name: (2S)-1-[bis(hydroxymethyl)amino]-3-[5-nitro-2-(1-pyrrolidinyl)phenoxy]-2-propanol IUPAC Name: (2S)-1-[bis(hydroxymethyl)amino]-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-(dimethylolamino)-3-(5-nitro-2-pyrrolidino-phenoxy)propan-2-ol Formula: C15H23N3O6 MolecularWeight: 341.35962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])OCC(CN(CO)CO)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])OC[C@H](CN(CO)CO)O

InChI

InChI=1S/C15H23N3O6/c19-10-16(11-20)8-13(21)9-24-15-7-12(18(22)23)3-4-14(15)17-5-1-2-6-17/h3-4,7,13,19-21H,1-2,5-6,8-11H2/t13-/m0/s1