(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-methylpyrazine-2-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-methylpyrazine-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c1-9-4-17-13(5-16-9)15(19)23-7-11-3-12(18(20)21)2-10-6-22-8-24-14(10)11/h2-5H,6-8H2,1H3