6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3-oxidanyl-pyran-4-one

Systemtic Name: 6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 3-hydroxy-6-methyl-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methyl-2-[[4-(4-nitrophenyl)piperazino]methyl]pyran-4-one Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=O)C(=C(O1)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N3O5/c1-12-10-15(21)17(22)16(25-12)11-18-6-8-19(9-7-18)13-2-4-14(5-3-13)20(23)24/h2-5,10,22H,6-9,11H2,1H3