N-[5-(butanoylamino)-2-chloranyl-phenyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[5-(butanoylamino)-2-chloranyl-phenyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[5-(butanoylamino)-2-chloro-phenyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[2-chloro-5-(1-oxobutylamino)phenyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[5-(butanoylamino)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-(5-butyramido-2-chloro-phenyl)-5-(2-nitrophenyl)-2-furamide Formula: C21H18ClN3O5 MolecularWeight: 427.83772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O5/c1-2-5-20(26)23-13-8-9-15(22)16(12-13)24-21(27)19-11-10-18(30-19)14-6-3-4-7-17(14)25(28)29/h3-4,6-12H,2,5H2,1H3,(H,23,26)(H,24,27)