3-(4-iodanyl-5-methyl-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide

Systemtic Name: 3-(4-iodanyl-5-methyl-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide Openeye Name: 3-(4-iodo-5-methyl-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide CAS Name: 3-(4-iodo-5-methyl-1-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide IUPAC Name: 3-(4-iodo-5-methylpyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propanamide Traditional Name: 3-(4-iodo-5-methyl-pyrazol-1-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]propionamide Formula: C22H23IN4O4 MolecularWeight: 534.34689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C=N3)I)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C(=C(C=N3)I)C)C)C

InChI

InChI=1S/C22H23IN4O4/c1-13-7-14(2)15(3)21(8-13)31-19-10-17(9-18(11-19)27(29)30)25-22(28)5-6-26-16(4)20(23)12-24-26/h7-12H,5-6H2,1-4H3,(H,25,28)