ethyl 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C=CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1/C=C/C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6/c1-2-24-18(21)14-10-13(20(22)23)11-19-15(14)5-3-12-4-6-16-17(9-12)26-8-7-25-16/h3-6,9-11H,2,7-8H2,1H3/b5-3+