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

Systemtic Name: N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitro-furan-2-carboxamide CAS Name: N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-5-nitro-2-furamide Formula: C20H23ClN4O5 MolecularWeight: 434.87342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5/c1-13(2)11-18(26)24-9-7-23(8-10-24)16-4-3-14(21)12-15(16)22-20(27)17-5-6-19(30-17)25(28)29/h3-6,12-13H,7-11H2,1-2H3,(H,22,27)