2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4,5-dinitro-1,3-dihydroisoindole

Systemtic Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4,5-dinitro-1,3-dihydroisoindole Openeye Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethyl]-4,5-dinitro-isoindoline CAS Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4,5-dinitro-1,3-dihydroisoindole IUPAC Name: 2-[1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4,5-dinitro-1,3-dihydroisoindole Traditional Name: 2-[1-(3-ethoxy-4-methoxy-phenyl)-2-mesyl-ethyl]-4,5-dinitro-isoindoline Formula: C20H23N3O8S MolecularWeight: 465.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2CC3=C(C2)C(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2CC3=C(C2)C(=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O8S/c1-4-31-19-9-13(6-8-18(19)30-2)17(12-32(3,28)29)21-10-14-5-7-16(22(24)25)20(23(26)27)15(14)11-21/h5-9,17H,4,10-12H2,1-3H3