ethyl 1-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(3-iodoanilino)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-(3-iodoanilino)-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(3-iodoanilino)-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C17H19IN2O3 MolecularWeight: 426.24883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC(=CC=C2)I)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC(=CC=C2)I)C

InChI

InChI=1S/C17H19IN2O3/c1-4-23-17(22)15-8-11(2)20(12(15)3)10-16(21)19-14-7-5-6-13(18)9-14/h5-9H,4,10H2,1-3H3,(H,19,21)