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

Systemtic Name: N-[3-(4-chloranyl-2-methyl-phenoxy)-5-nitro-phenyl]-3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanamide Openeye Name: N-[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propanamide CAS Name: N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-3-(4-iodo-3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide Traditional Name: N-[3-(4-chloro-2-methyl-phenoxy)-5-nitro-phenyl]-3-(4-iodo-3-methyl-pyrazol-1-yl)propionamide Formula: C20H18ClIN4O4 MolecularWeight: 540.73879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClIN4O4/c1-12-7-14(21)3-4-19(12)30-17-9-15(8-16(10-17)26(28)29)23-20(27)5-6-25-11-18(22)13(2)24-25/h3-4,7-11H,5-6H2,1-2H3,(H,23,27)