(6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyrazine-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyrazine-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyrazine-2-carboxylate Traditional Name: pyrazinic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6/c18-14(12-5-15-1-2-16-12)22-7-10-4-11(17(19)20)3-9-6-21-8-23-13(9)10/h1-5H,6-8H2