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

Systemtic Name: 1-[(6-azanyl-7-nitro-2,3-dihydro-1H-inden-5-yl)oxy]-3-(tert-butylamino)propan-2-ol Openeye Name: 1-(6-amino-7-nitro-indan-5-yl)oxy-3-(tert-butylamino)propan-2-ol CAS Name: 1-[(6-amino-7-nitro-2,3-dihydro-1H-inden-5-yl)oxy]-3-(tert-butylamino)-2-propanol IUPAC Name: 1-[(6-amino-7-nitro-2,3-dihydro-1H-inden-5-yl)oxy]-3-(tert-butylamino)propan-2-ol Traditional Name: 1-(6-amino-7-nitro-indan-5-yl)oxy-3-(tert-butylamino)propan-2-ol Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C(=C2CCCC2=C1)[N+](=O)[O-])N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C(=C2CCCC2=C1)[N+](=O)[O-])N)O

InChI

InChI=1S/C16H25N3O4/c1-16(2,3)18-8-11(20)9-23-13-7-10-5-4-6-12(10)15(14(13)17)19(21)22/h7,11,18,20H,4-6,8-9,17H2,1-3H3