2-(4-tert-butylphenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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