N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-methyl-5-nitro-imidazol-4-amine

Systemtic Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-methyl-5-nitro-imidazol-4-amine Openeye Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-3-methyl-5-nitro-imidazol-4-amine CAS Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-3-methyl-5-nitro-4-imidazolamine IUPAC Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-methyl-5-nitroimidazol-4-amine Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxyethyl-(3-methyl-5-nitro-imidazol-4-yl)amine Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCCNC3=C(N=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCCNC3=C(N=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O4/c1-16(2)9-11-5-4-6-12(13(11)24-16)23-8-7-17-14-15(20(21)22)18-10-19(14)3/h4-6,10,17H,7-9H2,1-3H3