ethyl 5-[2-(4-nitrophenyl)-3-oxidanylidene-butyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-nitrophenyl)-3-oxidanylidene-butyl]furan-2-carboxylate Openeye Name: ethyl 5-[2-(4-nitrophenyl)-3-oxo-butyl]furan-2-carboxylate CAS Name: 5-[2-(4-nitrophenyl)-3-oxobutyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-nitrophenyl)-3-oxobutyl]furan-2-carboxylate Traditional Name: 5-[3-keto-2-(4-nitrophenyl)butyl]furan-2-carboxylic acid ethyl ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C17H17NO6/c1-3-23-17(20)16-9-8-14(24-16)10-15(11(2)19)12-4-6-13(7-5-12)18(21)22/h4-9,15H,3,10H2,1-2H3