4-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-iodanyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-iodanyl-benzamide Openeye Name: 4-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-iodo-benzamide CAS Name: 4-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-iodobenzamide IUPAC Name: 4-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-iodobenzamide Traditional Name: 4-chloro-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-iodo-benzamide Formula: C17H16ClIN2O5 MolecularWeight: 490.67681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)I)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC(=C(C=C2)Cl)I)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16ClIN2O5/c1-25-15-8-10(14(21(23)24)9-16(15)26-2)5-6-20-17(22)11-3-4-12(18)13(19)7-11/h3-4,7-9H,5-6H2,1-2H3,(H,20,22)