[3-[2-[(2,4-dinitrophenyl)-methyl-amino]ethoxy]-2-oxidanyl-propyl] 4-pyren-1-ylbutanoate

Systemtic Name: [3-[2-[(2,4-dinitrophenyl)-methyl-amino]ethoxy]-2-oxidanyl-propyl] 4-pyren-1-ylbutanoate Openeye Name: [2-hydroxy-3-[2-(N-methyl-2,4-dinitro-anilino)ethoxy]propyl] 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid [2-hydroxy-3-[2-(N-methyl-2,4-dinitroanilino)ethoxy]propyl] ester IUPAC Name: [2-hydroxy-3-[2-(N-methyl-2,4-dinitroanilino)ethoxy]propyl] 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid [2-hydroxy-3-[2-(N-methyl-2,4-dinitro-anilino)ethoxy]propyl] ester Formula: C32H31N3O8 MolecularWeight: 585.60384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOCC(COC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCOCC(COC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C32H31N3O8/c1-33(28-15-13-25(34(38)39)18-29(28)35(40)41)16-17-42-19-26(36)20-43-30(37)7-3-4-21-8-9-24-11-10-22-5-2-6-23-12-14-27(21)32(24)31(22)23/h2,5-6,8-15,18,26,36H,3-4,7,16-17,19-20H2,1H3