(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H15NO6/c1-11-2-4-12(5-3-11)17(19)23-9-14-7-15(18(20)21)6-13-8-22-10-24-16(13)14/h2-7H,8-10H2,1H3