1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehyde

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehyde Openeye Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehyde CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-pyrrolecarboxaldehyde IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehyde Traditional Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrole-2-carbaldehyde Formula: C13H10N2O5 MolecularWeight: 274.2289

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3C=O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3C=O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O5/c16-7-10-2-1-3-14(10)6-9-4-12-13(20-8-19-12)5-11(9)15(17)18/h1-5,7H,6,8H2