5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-2-phenyl-isoindole-1,3-dione

Systemtic Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-2-phenyl-isoindole-1,3-dione Openeye Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-2-phenyl-isoindoline-1,3-dione CAS Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-2-phenylisoindole-1,3-dione IUPAC Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-2-phenylisoindole-1,3-dione Traditional Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-nitro-2-phenyl-isoindoline-1,3-quinone Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C3=C(C=C4C(=C3)C(=O)N(C4=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC12OCCO2)C3=C(C=C4C(=C3)C(=O)N(C4=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6/c25-19-15-12-17(22-8-6-21(7-9-22)29-10-11-30-21)18(24(27)28)13-16(15)20(26)23(19)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2