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

Systemtic Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 5-nitro-2-[(E)-piperonylideneamino]benzo[de]isoquinoline-1,3-quinone Formula: C20H11N3O6 MolecularWeight: 389.31784

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NN3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H11N3O6/c24-19-14-3-1-2-12-7-13(23(26)27)8-15(18(12)14)20(25)22(19)21-9-11-4-5-16-17(6-11)29-10-28-16/h1-9H,10H2/b21-9+