2-(5-methyl-2-propan-2-yl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C20H21N3O6/c1-12(2)15-5-4-13(3)6-17(15)27-10-20(24)22-21-9-14-7-18-19(29-11-28-18)8-16(14)23(25)26/h4-9,12H,10-11H2,1-3H3,(H,22,24)/b21-9+