methyl 2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: methyl 2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)vinyl]-5-nitro-nicotinic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC2=NC=C(C=C2C(=O)OC)[N+](=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C2=NC=C(C=C2C(=O)OC)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H24N2O6/c1-4-6-11-29-19-10-8-15(12-20(19)28-5-2)7-9-18-17(21(24)27-3)13-16(14-22-18)23(25)26/h7-10,12-14H,4-6,11H2,1-3H3/b9-7+