ethyl 2-[(E)-2-(2-ethyl-1-benzofuran-3-yl)ethenyl]-5-nitro-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(E)-2-(2-ethyl-1-benzofuran-3-yl)ethenyl]-5-nitro-pyridine-3-carboxylate Openeye Name: ethyl 2-[(E)-2-(2-ethylbenzofuran-3-yl)vinyl]-5-nitro-pyridine-3-carboxylate CAS Name: 2-[(E)-2-(2-ethyl-3-benzofuranyl)ethenyl]-5-nitro-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-(2-ethyl-1-benzofuran-3-yl)ethenyl]-5-nitropyridine-3-carboxylate Traditional Name: 2-[(E)-2-(2-ethylbenzofuran-3-yl)vinyl]-5-nitro-nicotinic acid ethyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC3=NC=C(C=C3C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C3=NC=C(C=C3C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O5/c1-3-18-15(14-7-5-6-8-19(14)27-18)9-10-17-16(20(23)26-4-2)11-13(12-21-17)22(24)25/h5-12H,3-4H2,1-2H3/b10-9+