ethyl 2-[(E)-2-[4-methoxy-3-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-pyridine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-5-28-21(24)17-11-16(23(25)26)12-22-18(17)8-6-15-7-9-19(27-4)20(10-15)29-13-14(2)3/h6-12,14H,5,13H2,1-4H3/b8-6+