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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C21H21IN4O4 MolecularWeight: 520.32031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21IN4O4/c1-13-6-14(2)8-18(7-13)30-19-10-16(9-17(11-19)26(28)29)23-21(27)4-5-25-12-20(22)15(3)24-25/h6-12H,4-5H2,1-3H3,(H,23,27)