O2-ethyl O4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[2-(3-iodoanilino)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: 2-O-ethyl 4-O-[2-(3-iodoanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C18H19IN2O5 MolecularWeight: 470.25833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)I)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)I)C

InChI

InChI=1S/C18H19IN2O5/c1-4-25-18(24)16-10(2)15(11(3)20-16)17(23)26-9-14(22)21-13-7-5-6-12(19)8-13/h5-8,20H,4,9H2,1-3H3,(H,21,22)