ethyl 2-[(E)-2-(4-hexoxyphenyl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(4-hexoxyphenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(4-hexoxyphenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(4-hexoxyphenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(4-hexoxyphenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(4-hexoxyphenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=CC2=NC=C(C=C2C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C/C2=NC=C(C=C2C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5/c1-3-5-6-7-14-29-19-11-8-17(9-12-19)10-13-21-20(22(25)28-4-2)15-18(16-23-21)24(26)27/h8-13,15-16H,3-7,14H2,1-2H3/b13-10+