2-[5-[(4-iodophenyl)carbonylamino]-3-methyl-pyrazol-1-yl]ethyl 4-iodanylbenzoate

Systemtic Name: 2-[5-[(4-iodophenyl)carbonylamino]-3-methyl-pyrazol-1-yl]ethyl 4-iodanylbenzoate Openeye Name: 2-[5-[(4-iodobenzoyl)amino]-3-methyl-pyrazol-1-yl]ethyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid 2-[5-[[(4-iodophenyl)-oxomethyl]amino]-3-methyl-1-pyrazolyl]ethyl ester IUPAC Name: 2-[5-[(4-iodobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid 2-[5-[(4-iodobenzoyl)amino]-3-methyl-pyrazol-1-yl]ethyl ester Formula: C20H17I2N3O3 MolecularWeight: 601.17622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)I)CCOC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)I)CCOC(=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C20H17I2N3O3/c1-13-12-18(23-19(26)14-2-6-16(21)7-3-14)25(24-13)10-11-28-20(27)15-4-8-17(22)9-5-15/h2-9,12H,10-11H2,1H3,(H,23,26)