2-(2-tert-butyl-4-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-(2-tert-butyl-4-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(2-tert-butyl-4-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(2-tert-butyl-4-methyl-phenoxy)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-13-5-6-17(15(7-13)21(2,3)4)28-11-20(25)23-22-10-14-8-18-19(30-12-29-18)9-16(14)24(26)27/h5-10H,11-12H2,1-4H3,(H,23,25)/b22-10+