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

Systemtic Name: ethyl 5-nitro-2-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(3-benzyloxyphenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 5-nitro-2-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]pyridine-3-carboxylate Traditional Name: 2-[(E)-2-(3-benzoxyphenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C=CC2=CC(=CC=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1/C=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5/c1-2-29-23(26)21-14-19(25(27)28)15-24-22(21)12-11-17-9-6-10-20(13-17)30-16-18-7-4-3-5-8-18/h3-15H,2,16H2,1H3/b12-11+