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

Systemtic Name: (3Z)-1-cyclopropyl-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-6-ol Openeye Name: (3Z)-1-cyclopropyl-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitro-2-furyl)methyl]-1,4-dihydroisoquinolin-6-ol CAS Name: (3Z)-1-cyclopropyl-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitro-2-furanyl)methyl]-1,4-dihydroisoquinolin-6-ol IUPAC Name: (3Z)-1-cyclopropyl-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1,4-dihydroisoquinolin-6-ol Traditional Name: (3Z)-1-cyclopropyl-3-dimethoxyphosphorylimino-7-methoxy-2-[(5-nitro-2-furyl)methyl]-1,4-dihydroisoquinolin-6-ol Formula: C20H24N3O8P MolecularWeight: 465.393621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=NP(=O)(OC)OC)N(C(C2=C1)C3CC3)CC4=CC=C(O4)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C2C/C(=N/P(=O)(OC)OC)/N(C(C2=C1)C3CC3)CC4=CC=C(O4)[N+](=O)[O-])O

InChI

InChI=1S/C20H24N3O8P/c1-28-17-10-15-13(8-16(17)24)9-18(21-32(27,29-2)30-3)22(20(15)12-4-5-12)11-14-6-7-19(31-14)23(25)26/h6-8,10,12,20,24H,4-5,9,11H2,1-3H3/b21-18-