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

Systemtic Name: ethyl 5-nitro-2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(3-allyloxyphenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 5-nitro-2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[(E)-2-(3-prop-2-enoxyphenyl)ethenyl]pyridine-3-carboxylate Traditional Name: 2-[(E)-2-(3-allyloxyphenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5/c1-3-10-26-16-7-5-6-14(11-16)8-9-18-17(19(22)25-4-2)12-15(13-20-18)21(23)24/h3,5-9,11-13H,1,4,10H2,2H3/b9-8+