N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-piperonylamide Formula: C21H18IN3O3 MolecularWeight: 487.29039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18IN3O3/c1-13-9-16(14(2)25(13)18-6-4-17(22)5-7-18)11-23-24-21(26)15-3-8-19-20(10-15)28-12-27-19/h3-11H,12H2,1-2H3,(H,24,26)