(E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(coumaran-5-ylmethyl)piperazino]-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-19(5-2-17-3-6-20(28-17)23(25)26)22-10-8-21(9-11-22)14-15-1-4-18-16(13-15)7-12-27-18/h1-6,13H,7-12,14H2/b5-2+