(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydroindol-1-ylcarbonyl)cyclohexane-1-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(indoline-1-carbonyl)cyclohexanecarboxylate CAS Name: 2-[2,3-dihydroindol-1-yl(oxo)methyl]-1-cyclohexanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylate Traditional Name: 2-(indoline-1-carbonyl)cyclohexanecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1CCC(C(C1)C(=O)N2CCC3=CC=CC=C32)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C25H26N2O7/c28-24(26-10-9-16-5-1-4-8-22(16)26)20-6-2-3-7-21(20)25(29)33-14-18-12-19(27(30)31)11-17-13-32-15-34-23(17)18/h1,4-5,8,11-12,20-21H,2-3,6-7,9-10,13-15H2