1-(2-methyl-5-nitro-phenoxy)-3-(propylamino)propan-2-ol

Systemtic Name: 1-(2-methyl-5-nitro-phenoxy)-3-(propylamino)propan-2-ol Openeye Name: 1-(2-methyl-5-nitro-phenoxy)-3-(propylamino)propan-2-ol CAS Name: 1-(2-methyl-5-nitrophenoxy)-3-(propylamino)-2-propanol IUPAC Name: 1-(2-methyl-5-nitrophenoxy)-3-(propylamino)propan-2-ol Traditional Name: 1-(2-methyl-5-nitro-phenoxy)-3-(propylamino)propan-2-ol Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COC1=C(C=CC(=C1)[N+](=O)[O-])C)O

Isomeric SMILES

CCCNCC(COC1=C(C=CC(=C1)[N+](=O)[O-])C)O

InChI

InChI=1S/C13H20N2O4/c1-3-6-14-8-12(16)9-19-13-7-11(15(17)18)5-4-10(13)2/h4-5,7,12,14,16H,3,6,8-9H2,1-2H3