(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C27H28N2O6/c1-27(2,3)18-8-9-23-21(12-18)24(20-6-4-5-7-22(20)28-23)26(30)34-14-17-11-19(29(31)32)10-16-13-33-15-35-25(16)17/h4-7,10-11,18H,8-9,12-15H2,1-3H3