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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl benzoate CAS Name: benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl benzoate Traditional Name: benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6/c18-16(11-4-2-1-3-5-11)22-9-13-7-14(17(19)20)6-12-8-21-10-23-15(12)13/h1-7H,8-10H2