ethyl 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC3=NC=C(C=C3C(=O)OCC)[N+](=O)[O-])OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C3=NC=C(C=C3C(=O)OCC)[N+](=O)[O-])O[C@H](C2)C

InChI

InChI=1S/C21H22N2O6/c1-4-27-19-10-15-8-13(3)29-20(15)9-14(19)6-7-18-17(21(24)28-5-2)11-16(12-22-18)23(25)26/h6-7,9-13H,4-5,8H2,1-3H3/b7-6+/t13-/m0/s1