2-(dimethylaminomethyl)-3-[[3-(hydroxymethyl)-6-nitro-3,4-dihydro-2H-chromen-5-yl]amino]propan-1-ol

Systemtic Name: 2-(dimethylaminomethyl)-3-[[3-(hydroxymethyl)-6-nitro-3,4-dihydro-2H-chromen-5-yl]amino]propan-1-ol Openeye Name: 2-(dimethylaminomethyl)-3-[[3-(hydroxymethyl)-6-nitro-chroman-5-yl]amino]propan-1-ol CAS Name: 2-(dimethylaminomethyl)-3-[[3-(hydroxymethyl)-6-nitro-3,4-dihydro-2H-1-benzopyran-5-yl]amino]-1-propanol IUPAC Name: 2-(dimethylaminomethyl)-3-[[3-(hydroxymethyl)-6-nitro-3,4-dihydro-2H-chromen-5-yl]amino]propan-1-ol Traditional Name: 2-(dimethylaminomethyl)-3-[(3-methylol-6-nitro-chroman-5-yl)amino]propan-1-ol Formula: C16H25N3O5 MolecularWeight: 339.3868

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CNC1=C(C=CC2=C1CC(CO2)CO)[N+](=O)[O-])CO

Isomeric SMILES

CN(C)CC(CNC1=C(C=CC2=C1CC(CO2)CO)[N+](=O)[O-])CO

InChI

InChI=1S/C16H25N3O5/c1-18(2)7-12(9-21)6-17-16-13-5-11(8-20)10-24-15(13)4-3-14(16)19(22)23/h3-4,11-12,17,20-21H,5-10H2,1-2H3