[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C15H13IN2O4 MolecularWeight: 412.17919

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C15H13IN2O4/c1-9(19)10-6-13(17-7-10)15(21)22-8-14(20)18-12-4-2-11(16)3-5-12/h2-7,17H,8H2,1H3,(H,18,20)