1-ethenyl-2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 1-ethenyl-2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 7-hydroxy-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 1-ethenyl-7-hydroxy-2-[(5-nitro-2-furanyl)methyl]-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 1-ethenyl-7-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 7-hydroxy-2-[(5-nitro-2-furyl)methyl]-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

C=CC1C2=C(C=CC(=C2)O)C(=CN1CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5/c1-2-21-19-12-16(27)8-10-18(19)20(23(28)24-15-6-4-3-5-7-15)14-25(21)13-17-9-11-22(31-17)26(29)30/h2-12,14,21,27H,1,13H2,(H,24,28)