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

Systemtic Name: 7-[[methyl-(phenylmethyl)amino]methyl]-2-[(3-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 7-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-[(3-nitrophenyl)methylene]benzofuran-3-one CAS Name: 6-hydroxy-7-[[methyl-(phenylmethyl)amino]methyl]-2-[(3-nitrophenyl)methylidene]-3-benzofuranone IUPAC Name: 7-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one Traditional Name: 7-[[benzyl(methyl)amino]methyl]-6-hydroxy-2-(3-nitrobenzylidene)coumaran-3-one Formula: C24H20N2O5 MolecularWeight: 416.426

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

InChI

InChI=1S/C24H20N2O5/c1-25(14-16-6-3-2-4-7-16)15-20-21(27)11-10-19-23(28)22(31-24(19)20)13-17-8-5-9-18(12-17)26(29)30/h2-13,27H,14-15H2,1H3