N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitro-furan-2-carboxamide CAS Name: N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]-5-nitro-2-furamide Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-14(2)13-18(25)23-11-9-22(10-12-23)16-5-3-15(4-6-16)21-20(26)17-7-8-19(29-17)24(27)28/h3-8,14H,9-13H2,1-2H3,(H,21,26)