(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate CAS Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Traditional Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C22H20N2O6/c25-22(13-5-6-20-18(9-13)17-3-1-2-4-19(17)23-20)29-11-15-8-16(24(26)27)7-14-10-28-12-30-21(14)15/h5-9,23H,1-4,10-12H2