2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-5-[(4-nitrophenyl)methoxy]pyran-4-one

Systemtic Name: 2-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-5-[(4-nitrophenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-[(4-nitrophenyl)methoxy]pyran-4-one CAS Name: 2-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-5-[(4-nitrophenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-[(4-nitrophenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(2-furoyl)piperazino]methyl]-5-(4-nitrobenzyl)oxy-pyran-4-one Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C22H21N3O7/c26-19-12-18(13-23-7-9-24(10-8-23)22(27)20-2-1-11-30-20)31-15-21(19)32-14-16-3-5-17(6-4-16)25(28)29/h1-6,11-12,15H,7-10,13-14H2