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

Systemtic Name: N-[4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[4-(2-furoyl)piperazino]phenyl]-3-nitro-benzamide Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O5/c27-21(16-3-1-4-19(15-16)26(29)30)23-17-6-8-18(9-7-17)24-10-12-25(13-11-24)22(28)20-5-2-14-31-20/h1-9,14-15H,10-13H2,(H,23,27)