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

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide CAS Name: 2-(4-tert-butylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-20(2,3)15-6-4-13(5-7-15)8-19(24)22-21-11-14-9-17-18(28-12-27-17)10-16(14)23(25)26/h4-7,9-11H,8,12H2,1-3H3,(H,22,24)