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

Systemtic Name: N-[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]phenyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-chloro-4-(4-pivaloylpiperazino)phenyl]-5-nitro-2-furamide Formula: C20H23ClN4O5 MolecularWeight: 434.87342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5/c1-20(2,3)19(27)24-10-8-23(9-11-24)15-5-4-13(12-14(15)21)22-18(26)16-6-7-17(30-16)25(28)29/h4-7,12H,8-11H2,1-3H3,(H,22,26)