[5-[(4-chlorophenyl)methyl]-2-nitro-phenyl]-(4-iodanyl-2-methyl-pyrazol-3-yl)methanone

Systemtic Name: [5-[(4-chlorophenyl)methyl]-2-nitro-phenyl]-(4-iodanyl-2-methyl-pyrazol-3-yl)methanone Openeye Name: [5-[(4-chlorophenyl)methyl]-2-nitro-phenyl]-(4-iodo-2-methyl-pyrazol-3-yl)methanone CAS Name: [5-[(4-chlorophenyl)methyl]-2-nitrophenyl]-(4-iodo-2-methyl-3-pyrazolyl)methanone IUPAC Name: [5-[(4-chlorophenyl)methyl]-2-nitrophenyl]-(4-iodo-2-methylpyrazol-3-yl)methanone Traditional Name: [5-(4-chlorobenzyl)-2-nitro-phenyl]-(4-iodo-2-methyl-pyrazol-3-yl)methanone Formula: C18H13ClIN3O3 MolecularWeight: 481.67159

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)I)C(=O)C2=C(C=CC(=C2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)I)C(=O)C2=C(C=CC(=C2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClIN3O3/c1-22-17(15(20)10-21-22)18(24)14-9-12(4-7-16(14)23(25)26)8-11-2-5-13(19)6-3-11/h2-7,9-10H,8H2,1H3