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

Systemtic Name: 6-(1-nitroso-6-oxidanyl-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carbaldehyde Openeye Name: 6-(6-hydroxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carbaldehyde CAS Name: 6-(6-hydroxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 6-(6-hydroxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3a-yl)-1,3-benzodioxole-5-carbaldehyde Traditional Name: 6-(6-hydroxy-1-nitroso-3,6,7,7a-tetrahydro-2H-indol-3a-yl)piperonal Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1(C=CC(C2)O)C3=CC4=C(C=C3C=O)OCO4)N=O

Isomeric SMILES

C1CN(C2C1(C=CC(C2)O)C3=CC4=C(C=C3C=O)OCO4)N=O

InChI

InChI=1S/C16H16N2O5/c19-8-10-5-13-14(23-9-22-13)7-12(10)16-2-1-11(20)6-15(16)18(17-21)4-3-16/h1-2,5,7-8,11,15,20H,3-4,6,9H2