(3Z)-1-cyclopropyl-3-diphenoxyphosphorylimino-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-7-ol

Systemtic Name: (3Z)-1-cyclopropyl-3-diphenoxyphosphorylimino-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-7-ol Openeye Name: (3Z)-1-cyclopropyl-3-diphenoxyphosphorylimino-2-[(5-nitro-2-furyl)methyl]-1,4-dihydroisoquinolin-7-ol CAS Name: (3Z)-1-cyclopropyl-3-diphenoxyphosphorylimino-2-[(5-nitro-2-furanyl)methyl]-1,4-dihydroisoquinolin-7-ol IUPAC Name: (3Z)-1-cyclopropyl-3-diphenoxyphosphorylimino-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-7-ol Traditional Name: (3Z)-1-cyclopropyl-3-diphenoxyphosphorylimino-2-[(5-nitro-2-furyl)methyl]-1,4-dihydroisoquinolin-7-ol Formula: C29H26N3O7P MolecularWeight: 559.506401

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2C3=C(CC(=NP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)N2CC6=CC=C(O6)[N+](=O)[O-])C=CC(=C3)O

Isomeric SMILES

C1CC1C2C3=C(C/C(=N/P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)/N2CC6=CC=C(O6)[N+](=O)[O-])C=CC(=C3)O

InChI

InChI=1S/C29H26N3O7P/c33-22-14-13-21-17-27(30-40(36,38-23-7-3-1-4-8-23)39-24-9-5-2-6-10-24)31(29(20-11-12-20)26(21)18-22)19-25-15-16-28(37-25)32(34)35/h1-10,13-16,18,20,29,33H,11-12,17,19H2/b30-27-