N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]hexanamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]hexanamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]hexanamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]hexanamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]hexanamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]hexanamide Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCCCCC(=O)N/N=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C14H17N3O5/c1-2-3-4-5-14(18)16-15-8-10-6-12-13(22-9-21-12)7-11(10)17(19)20/h6-8H,2-5,9H2,1H3,(H,16,18)/b15-8+