5-[5-[(4-butoxy-3-nitro-phenyl)amino]pentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one

Systemtic Name: 5-[5-[(4-butoxy-3-nitro-phenyl)amino]pentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one Openeye Name: 5-[5-(4-butoxy-3-nitro-anilino)pentoxy]-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one CAS Name: 5-[5-(4-butoxy-3-nitroanilino)pentoxy]-2-(2-oxanyloxymethyl)-4-pyranone IUPAC Name: 5-[5-(4-butoxy-3-nitroanilino)pentoxy]-2-(oxan-2-yloxymethyl)pyran-4-one Traditional Name: 5-[5-(4-butoxy-3-nitro-anilino)pentoxy]-2-(tetrahydropyran-2-yloxymethyl)pyran-4-one Formula: C26H36N2O8 MolecularWeight: 504.57264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)NCCCCCOC2=COC(=CC2=O)COC3CCCCO3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)NCCCCCOC2=COC(=CC2=O)COC3CCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C26H36N2O8/c1-2-3-13-32-24-11-10-20(16-22(24)28(30)31)27-12-6-4-7-14-33-25-19-35-21(17-23(25)29)18-36-26-9-5-8-15-34-26/h10-11,16-17,19,26-27H,2-9,12-15,18H2,1H3