1-[(6-azanyl-7-nitro-2,3-dihydro-1H-inden-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol

Systemtic Name: 1-[(6-azanyl-7-nitro-2,3-dihydro-1H-inden-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol Openeye Name: 1-(6-amino-7-nitro-indan-5-yl)oxy-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol CAS Name: 1-[(6-amino-7-nitro-2,3-dihydro-1H-inden-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propanol IUPAC Name: 1-[(6-amino-7-nitro-2,3-dihydro-1H-inden-5-yl)oxy]-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-2-ol Traditional Name: 1-(6-amino-7-nitro-indan-5-yl)oxy-3-(homoveratrylamino)propan-2-ol Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=C(C(=C3CCCC3=C2)[N+](=O)[O-])N)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(COC2=C(C(=C3CCCC3=C2)[N+](=O)[O-])N)O)OC

InChI

InChI=1S/C22H29N3O6/c1-29-18-7-6-14(10-19(18)30-2)8-9-24-12-16(26)13-31-20-11-15-4-3-5-17(15)22(21(20)23)25(27)28/h6-7,10-11,16,24,26H,3-5,8-9,12-13,23H2,1-2H3