methyl 3-azanyl-4-[(4-iodophenyl)methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-[(4-iodophenyl)methyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-amino-4-[(4-iodophenyl)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-amino-4-[(4-iodophenyl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-[(4-iodophenyl)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-amino-4-(4-iodobenzyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H13IN2O2 MolecularWeight: 356.15899

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC=C(C=C2)I)N

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC=C(C=C2)I)N

InChI

InChI=1S/C13H13IN2O2/c1-18-13(17)12-11(15)9(7-16-12)6-8-2-4-10(14)5-3-8/h2-5,7,16H,6,15H2,1H3