ethyl 3-[(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(3-cyano-5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3-cyano-5-nitro-2-oxo-1-pyridyl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(3-cyano-5-nitro-2-oxo-1-pyridinyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-cyano-5-nitro-2-oxopyridin-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(3-cyano-2-keto-5-nitro-1-pyridyl)methyl]coumarilic acid ethyl ester Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O6/c1-2-26-18(23)16-14(13-5-3-4-6-15(13)27-16)10-20-9-12(21(24)25)7-11(8-19)17(20)22/h3-7,9H,2,10H2,1H3