N-(1,3-benzodioxol-5-yl)-1-[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methanimine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methanimine Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methanimine CAS Name: N-(1,3-benzodioxol-5-yl)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methanimine IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methanimine Traditional Name: 1,3-benzodioxol-5-yl-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]amine Formula: C21H19IN2O2 MolecularWeight: 458.29223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19IN2O2/c1-13-8-18(5-6-19(13)22)24-14(2)9-16(15(24)3)11-23-17-4-7-20-21(10-17)26-12-25-20/h4-11H,12H2,1-3H3