7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]-3-nitro-2-oxidanyl-8-propyl-chromen-4-one

Systemtic Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanyl-propoxy]-3-nitro-2-oxidanyl-8-propyl-chromen-4-one Openeye Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxy-propoxy]-2-hydroxy-3-nitro-8-propyl-chromen-4-one CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-hydroxypropoxy]-2-hydroxy-3-nitro-8-propyl-1-benzopyran-4-one IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]-2-hydroxy-3-nitro-8-propylchromen-4-one Traditional Name: 7-[3-[4-(4-chlorobenzyl)piperazino]-2-hydroxy-propoxy]-2-hydroxy-3-nitro-8-propyl-chromone Formula: C26H30ClN3O7 MolecularWeight: 531.9853

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=C(C2=O)[N+](=O)[O-])O)OCC(CN3CCN(CC3)CC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=C(C2=O)[N+](=O)[O-])O)OCC(CN3CCN(CC3)CC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C26H30ClN3O7/c1-2-3-20-22(9-8-21-24(32)23(30(34)35)26(33)37-25(20)21)36-16-19(31)15-29-12-10-28(11-13-29)14-17-4-6-18(27)7-5-17/h4-9,19,31,33H,2-3,10-16H2,1H3