methyl 3-[[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoate

Systemtic Name: methyl 3-[[1-(4-iodanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoate Openeye Name: methyl 3-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoate CAS Name: 3-[[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-iodo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate Traditional Name: 3-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid methyl ester Formula: C22H21IN2O2 MolecularWeight: 472.31881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)I)C)C)C=NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H21IN2O2/c1-14-10-20(8-9-21(14)23)25-15(2)11-18(16(25)3)13-24-19-7-5-6-17(12-19)22(26)27-4/h5-13H,1-4H3