dimethyl 5-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-iodo-1H-pyrazol-5-yl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-iodo-1H-pyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H12IN3O5 MolecularWeight: 429.16665

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=NN2)I)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C=NN2)I)C(=O)OC

InChI

InChI=1S/C14H12IN3O5/c1-22-13(20)7-3-8(14(21)23-2)5-9(4-7)17-12(19)11-10(15)6-16-18-11/h3-6H,1-2H3,(H,16,18)(H,17,19)