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

Systemtic Name: methyl 4-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]benzoate Openeye Name: methyl 4-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoate CAS Name: 4-[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate Traditional Name: 4-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]benzoic acid methyl ester 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=NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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