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

Systemtic Name: ethyl 2-[(E)-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-3-25-17(21)13-9-12(19(22)23)10-18-14(13)6-4-11-5-7-16(24-2)15(20)8-11/h4-10,20H,3H2,1-2H3/b6-4+