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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6/c1-12(2)13-3-5-15(6-4-13)26-10-19(23)21-20-9-14-7-17-18(28-11-27-17)8-16(14)22(24)25/h3-9,12H,10-11H2,1-2H3,(H,21,23)/b20-9+