4-chloranyl-N-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[4-(2-furoyl)piperazino]phenyl]-3-nitro-benzamide Formula: C22H19ClN4O5 MolecularWeight: 454.86306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C22H19ClN4O5/c23-18-8-3-15(14-19(18)27(30)31)21(28)24-16-4-6-17(7-5-16)25-9-11-26(12-10-25)22(29)20-2-1-13-32-20/h1-8,13-14H,9-12H2,(H,24,28)