5-[(2-chloranyl-5-nitro-phenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide

Systemtic Name: 5-[(2-chloranyl-5-nitro-phenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide Openeye Name: 5-[(2-chloro-5-nitro-phenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide CAS Name: 5-[(2-chloro-5-nitrophenoxy)methyl]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(2-chloro-5-nitrophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide Traditional Name: 5-[(2-chloro-5-nitro-phenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-furamide Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC=C(O2)COC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H21ClN4O5/c1-13-10-14(2)24(23-13)9-3-8-22-20(26)18-7-5-16(30-18)12-29-19-11-15(25(27)28)4-6-17(19)21/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,22,26)