(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,5-dimethylphenyl)carbonylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,5-dimethylphenyl)carbonylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,5-dimethylbenzoyl)benzoate CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,5-dimethylbenzoyl)benzoate Traditional Name: 2-(2,5-dimethylbenzoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C25H21NO7/c1-15-7-8-16(2)22(9-15)23(27)20-5-3-4-6-21(20)25(28)32-13-18-11-19(26(29)30)10-17-12-31-14-33-24(17)18/h3-11H,12-14H2,1-2H3