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

Systemtic Name: (3Z)-3-dimethoxyphosphorylimino-2-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-yl-1,4-dihydroisoquinolin-7-ol Openeye Name: (3Z)-3-dimethoxyphosphorylimino-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1,4-dihydroisoquinolin-7-ol CAS Name: (3Z)-3-dimethoxyphosphorylimino-2-[(5-nitro-2-furanyl)methyl]-1-thiophen-2-yl-1,4-dihydroisoquinolin-7-ol IUPAC Name: (3Z)-3-dimethoxyphosphorylimino-2-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-yl-1,4-dihydroisoquinolin-7-ol Traditional Name: (3Z)-3-dimethoxyphosphorylimino-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1,4-dihydroisoquinolin-7-ol Formula: C20H20N3O7PS MolecularWeight: 477.427461

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(N=C1CC2=C(C=C(C=C2)O)C(N1CC3=CC=C(O3)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COP(=O)(/N=C\1/CC2=C(C=C(C=C2)O)C(N1CC3=CC=C(O3)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C20H20N3O7PS/c1-28-31(27,29-2)21-18-10-13-5-6-14(24)11-16(13)20(17-4-3-9-32-17)22(18)12-15-7-8-19(30-15)23(25)26/h3-9,11,20,24H,10,12H2,1-2H3/b21-18-