5-[(4-methoxy-2-nitro-3-phenylmethoxy-phenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline

Systemtic Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxy-phenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline Openeye Name: 5-[(3-benzyloxy-4-methoxy-2-nitro-phenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline CAS Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline IUPAC Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline Traditional Name: 5-(3-benzoxy-4-methoxy-2-nitro-benzyl)-[1,3]dioxol[4,5-g]isoquinoline Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC2=NC=CC3=CC4=C(C=C32)OCO4)[N+](=O)[O-])OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=C(C=C1)CC2=NC=CC3=CC4=C(C=C32)OCO4)[N+](=O)[O-])OCC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O6/c1-30-21-8-7-18(24(27(28)29)25(21)31-14-16-5-3-2-4-6-16)11-20-19-13-23-22(32-15-33-23)12-17(19)9-10-26-20/h2-10,12-13H,11,14-15H2,1H3