N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-propylphenoxy)ethanamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-propylphenoxy)ethanamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-(4-propylphenoxy)acetamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-propylphenoxy)acetamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-propylphenoxy)acetamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-2-(4-propylphenoxy)acetamide Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C19H19N3O6/c1-2-3-13-4-6-15(7-5-13)26-11-19(23)21-20-10-14-8-17-18(28-12-27-17)9-16(14)22(24)25/h4-10H,2-3,11-12H2,1H3,(H,21,23)/b20-10+