N-[2-[4-(2,3-dihydro-1-benzofuran-2-yl)piperazin-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[4-(2,3-dihydro-1-benzofuran-2-yl)piperazin-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[4-(2,3-dihydrobenzofuran-2-yl)piperazin-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[4-(2,3-dihydrobenzofuran-2-yl)-1-piperazinyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(2,3-dihydro-1-benzofuran-2-yl)piperazin-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-(4-coumaran-2-ylpiperazino)ethyl]-4-nitro-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3CC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N4O4/c26-21(16-5-7-18(8-6-16)25(27)28)22-9-10-23-11-13-24(14-12-23)20-15-17-3-1-2-4-19(17)29-20/h1-8,20H,9-15H2,(H,22,26)