propan-2-yl 1-ethyl-4-[(2-iodanylphenyl)carbonylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[(2-iodanylphenyl)carbonylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(2-iodophenyl)-oxomethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(2-iodobenzoyl)amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C16H18IN3O3 MolecularWeight: 427.23689

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=CC=C2I

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C16H18IN3O3/c1-4-20-9-13(14(19-20)16(22)23-10(2)3)18-15(21)11-7-5-6-8-12(11)17/h5-10H,4H2,1-3H3,(H,18,21)