N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxyethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N2O6S/c1-19(2)12-13-5-4-6-17(18(13)27-19)26-10-9-20-15-8-7-14(28(3,24)25)11-16(15)21(22)23/h4-8,11,20H,9-10,12H2,1-3H3