(3Z)-3-dimethoxyphosphorylimino-7-methoxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-6-ol

Systemtic Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-6-ol Openeye Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-1,4-dihydroisoquinolin-6-ol CAS Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-1-methyl-2-[(5-nitro-2-furanyl)methyl]-1,4-dihydroisoquinolin-6-ol IUPAC Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-1-methyl-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-6-ol Traditional Name: (3Z)-3-dimethoxyphosphorylimino-7-methoxy-1-methyl-2-[(5-nitro-2-furyl)methyl]-1,4-dihydroisoquinolin-6-ol Formula: C18H22N3O8P MolecularWeight: 439.356341

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC(=NP(=O)(OC)OC)N1CC3=CC=C(O3)[N+](=O)[O-])O)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C/C(=N/P(=O)(OC)OC)/N1CC3=CC=C(O3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C18H22N3O8P/c1-11-14-9-16(26-2)15(22)7-12(14)8-17(19-30(25,27-3)28-4)20(11)10-13-5-6-18(29-13)21(23)24/h5-7,9,11,22H,8,10H2,1-4H3/b19-17-