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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-cyanobenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6/c18-7-11-1-3-12(4-2-11)17(20)24-9-14-6-15(19(21)22)5-13-8-23-10-25-16(13)14/h1-6H,8-10H2