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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyridine-4-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C15H12N2O6 MolecularWeight: 316.26558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O6/c18-15(10-1-3-16-4-2-10)22-8-12-6-13(17(19)20)5-11-7-21-9-23-14(11)12/h1-6H,7-9H2