N-(4-butan-2-ylphenyl)-5-[(4-chloranyl-2-nitro-phenoxy)methyl]furan-2-carboxamide

Systemtic Name: N-(4-butan-2-ylphenyl)-5-[(4-chloranyl-2-nitro-phenoxy)methyl]furan-2-carboxamide Openeye Name: 5-[(4-chloro-2-nitro-phenoxy)methyl]-N-(4-sec-butylphenyl)furan-2-carboxamide CAS Name: N-(4-butan-2-ylphenyl)-5-[(4-chloro-2-nitrophenoxy)methyl]-2-furancarboxamide IUPAC Name: N-(4-butan-2-ylphenyl)-5-[(4-chloro-2-nitrophenoxy)methyl]furan-2-carboxamide Traditional Name: 5-[(4-chloro-2-nitro-phenoxy)methyl]-N-(4-sec-butylphenyl)-2-furamide Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN2O5/c1-3-14(2)15-4-7-17(8-5-15)24-22(26)21-11-9-18(30-21)13-29-20-10-6-16(23)12-19(20)25(27)28/h4-12,14H,3,13H2,1-2H3,(H,24,26)