6,8-bis(chloranyl)-3-[(4-methylpiperazin-1-yl)methyl]chromen-4-one; ethanedioic acid

Systemtic Name: 6,8-bis(chloranyl)-3-[(4-methylpiperazin-1-yl)methyl]chromen-4-one; ethanedioic acid Openeye Name: 6,8-dichloro-3-[(4-methylpiperazin-1-yl)methyl]chromen-4-one; oxalic acid CAS Name: 6,8-dichloro-3-[(4-methyl-1-piperazinyl)methyl]-1-benzopyran-4-one; oxalic acid IUPAC Name: 6,8-dichloro-3-[(4-methylpiperazin-1-yl)methyl]chromen-4-one; oxalic acid Traditional Name: 6,8-dichloro-3-[(4-methylpiperazino)methyl]chromone; oxalic acid Formula: C17H18Cl2N2O6 MolecularWeight: 417.24062

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16Cl2N2O2.C2H2O4/c1-18-2-4-19(5-3-18)8-10-9-21-15-12(14(10)20)6-11(16)7-13(15)17;3-1(4)2(5)6/h6-7,9H,2-5,8H2,1H3;(H,3,4)(H,5,6)