3-nitro-2-oxidanyl-7-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]chromen-4-one

Systemtic Name: 3-nitro-2-oxidanyl-7-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]chromen-4-one Openeye Name: 7-[3-(4-benzylpiperazin-1-yl)propoxy]-2-hydroxy-3-nitro-chromen-4-one CAS Name: 2-hydroxy-3-nitro-7-[3-[4-(phenylmethyl)-1-piperazinyl]propoxy]-1-benzopyran-4-one IUPAC Name: 7-[3-(4-benzylpiperazin-1-yl)propoxy]-2-hydroxy-3-nitrochromen-4-one Traditional Name: 7-[3-(4-benzylpiperazino)propoxy]-2-hydroxy-3-nitro-chromone Formula: C23H25N3O6 MolecularWeight: 439.4611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCOC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O6/c27-22-19-8-7-18(15-20(19)32-23(28)21(22)26(29)30)31-14-4-9-24-10-12-25(13-11-24)16-17-5-2-1-3-6-17/h1-3,5-8,15,28H,4,9-14,16H2