4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CN4CCN(CC4)C5=CN=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CN4CCN(CC4)C5=CN=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c27-22-12-17(19-10-15-2-1-3-16(15)11-20(19)30-22)14-24-6-8-25(9-7-24)18-4-5-21(23-13-18)26(28)29/h4-5,10-13H,1-3,6-9,14H2