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

Systemtic Name: ethyl 2-[(E)-2-(3-methoxy-2-propan-2-yloxy-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-5-27-20(23)16-11-15(22(24)25)12-21-17(16)10-9-14-7-6-8-18(26-4)19(14)28-13(2)3/h6-13H,5H2,1-4H3/b10-9+