(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H20N2O8S/c1-12-5-14-6-13(3-4-18(14)21(12)31(2,26)27)20(23)29-10-16-8-17(22(24)25)7-15-9-28-11-30-19(15)16/h3-4,6-8,12H,5,9-11H2,1-2H3