[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C15H15IN2O3 MolecularWeight: 398.19567

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC=CN2C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC=CN2C

InChI

InChI=1S/C15H15IN2O3/c1-10-8-11(16)5-6-12(10)17-14(19)9-21-15(20)13-4-3-7-18(13)2/h3-8H,9H2,1-2H3,(H,17,19)