7-[(2-methylpiperidin-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 7-[(2-methylpiperidin-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 6-hydroxy-7-[(2-methyl-1-piperidyl)methyl]-2-[(3-nitrophenyl)methylene]benzofuran-3-one CAS Name: 6-hydroxy-7-[(2-methyl-1-piperidinyl)methyl]-2-[(3-nitrophenyl)methylidene]-3-benzofuranone IUPAC Name: 6-hydroxy-7-[(2-methylpiperidin-1-yl)methyl]-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one Traditional Name: 6-hydroxy-7-[(2-methylpiperidino)methyl]-2-(3-nitrobenzylidene)coumaran-3-one Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

CC1CCCCN1CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

InChI

InChI=1S/C22H22N2O5/c1-14-5-2-3-10-23(14)13-18-19(25)9-8-17-21(26)20(29-22(17)18)12-15-6-4-7-16(11-15)24(27)28/h4,6-9,11-12,14,25H,2-3,5,10,13H2,1H3