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

Systemtic Name: (3Z)-3-diphenoxyphosphorylimino-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-7-ol Openeye Name: (3Z)-3-diphenoxyphosphorylimino-1-methyl-2-[(5-nitro-2-furyl)methyl]-1,4-dihydroisoquinolin-7-ol CAS Name: (3Z)-3-diphenoxyphosphorylimino-1-methyl-2-[(5-nitro-2-furanyl)methyl]-1,4-dihydroisoquinolin-7-ol IUPAC Name: (3Z)-3-diphenoxyphosphorylimino-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-7-ol Traditional Name: (3Z)-3-diphenoxyphosphorylimino-1-methyl-2-[(5-nitro-2-furyl)methyl]-1,4-dihydroisoquinolin-7-ol Formula: C27H24N3O7P MolecularWeight: 533.469121

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CC(=NP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)N1CC5=CC=C(O5)[N+](=O)[O-])C=CC(=C2)O

Isomeric SMILES

CC1C2=C(C/C(=N/P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)/N1CC5=CC=C(O5)[N+](=O)[O-])C=CC(=C2)O

InChI

InChI=1S/C27H24N3O7P/c1-19-25-17-21(31)13-12-20(25)16-26(29(19)18-24-14-15-27(35-24)30(32)33)28-38(34,36-22-8-4-2-5-9-22)37-23-10-6-3-7-11-23/h2-15,17,19,31H,16,18H2,1H3/b28-26-