6-(6-methoxy-1-nitroso-3-oxidanyl-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 6-(6-methoxy-1-nitroso-3-oxidanyl-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carbaldehyde Openeye Name: 6-(3-hydroxy-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carbaldehyde CAS Name: 6-(3-hydroxy-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 6-(3-hydroxy-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carbaldehyde Traditional Name: 6-(3-hydroxy-6-methoxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3a-yl)piperonal Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC2C(C=C1)(C(CN2N=O)O)C3=CC4=C(C=C3C=O)OCO4

Isomeric SMILES

COC1CC2C(C=C1)(C(CN2N=O)O)C3=CC4=C(C=C3C=O)OCO4

InChI

InChI=1S/C17H18N2O6/c1-23-11-2-3-17(15(5-11)19(18-22)7-16(17)21)12-6-14-13(24-9-25-14)4-10(12)8-20/h2-4,6,8,11,15-16,21H,5,7,9H2,1H3