2-methyl-1-(3-morpholin-4-ium-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)propan-2-ol

Systemtic Name: 2-methyl-1-(3-morpholin-4-ium-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)propan-2-ol Openeye Name: 2-methyl-1-(3-morpholin-4-ium-4-yl-5-nitro-3H-benzofuran-2-ylidene)propan-2-ol CAS Name: 2-methyl-1-[3-(4-morpholin-4-iumyl)-5-nitro-3H-benzofuran-2-ylidene]-2-propanol IUPAC Name: 2-methyl-1-(3-morpholin-4-ium-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)propan-2-ol Traditional Name: 2-methyl-1-(3-morpholin-4-ium-4-yl-5-nitro-coumaran-2-ylidene)propan-2-ol Formula: C16H21N2O5+ MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C1C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])[NH+]3CCOCC3)O

Isomeric SMILES

CC(C)(C=C1C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])[NH+]3CCOCC3)O

InChI

InChI=1S/C16H20N2O5/c1-16(2,19)10-14-15(17-5-7-22-8-6-17)12-9-11(18(20)21)3-4-13(12)23-14/h3-4,9-10,15,19H,5-8H2,1-2H3/p+1