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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethoxypyridine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H16N2O7/c1-2-24-16-14(4-3-5-18-16)17(20)25-9-12-7-13(19(21)22)6-11-8-23-10-26-15(11)12/h3-7H,2,8-10H2,1H3