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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-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-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H19NO7 MolecularWeight: 433.41016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO7/c1-15-6-8-16(9-7-15)22(26)20-4-2-3-5-21(20)24(27)31-13-18-11-19(25(28)29)10-17-12-30-14-32-23(17)18/h2-11H,12-14H2,1H3