N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-methylsulfonyl-2-nitroaniline Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O6S/c1-3-19(12-13-4-7-17-18(10-13)26-9-8-25-17)15-6-5-14(27(2,23)24)11-16(15)20(21)22/h4-7,10-11H,3,8-9,12H2,1-2H3