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

Systemtic Name: ethyl 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(4-isopentyloxy-3-methoxy-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(4-isoamoxy-3-methoxy-phenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-5-29-22(25)18-13-17(24(26)27)14-23-19(18)8-6-16-7-9-20(21(12-16)28-4)30-11-10-15(2)3/h6-9,12-15H,5,10-11H2,1-4H3/b8-6+