2-(1,3-benzodioxol-5-ylmethyl)-6-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-nitro-2-piperonyl-benzo[de]isoquinoline-1,3-quinone Formula: C20H12N2O6 MolecularWeight: 376.31908

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

InChI

InChI=1S/C20H12N2O6/c23-19-13-3-1-2-12-15(22(25)26)6-5-14(18(12)13)20(24)21(19)9-11-4-7-16-17(8-11)28-10-27-16/h1-8H,9-10H2