(1S)-6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: (1S)-6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: (1S)-6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline CAS Name: (1S)-6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: (1S)-6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: (1S)-6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](NCCC2=C1)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC

InChI

InChI=1S/C18H18N2O6/c1-23-14-5-10-3-4-19-18(11(10)6-15(14)24-2)12-7-16-17(26-9-25-16)8-13(12)20(21)22/h5-8,18-19H,3-4,9H2,1-2H3/t18-/m0/s1