(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C22H21NO7/c24-20(16-5-4-14-2-1-3-15(14)8-16)6-7-21(25)29-12-18-10-19(23(26)27)9-17-11-28-13-30-22(17)18/h4-5,8-10H,1-3,6-7,11-13H2