[5-[2-[(2,4-dinitrophenyl)-methyl-amino]ethoxy]-2-oxidanyl-pentyl] 4-pyren-1-ylbutanoate

Systemtic Name: [5-[2-[(2,4-dinitrophenyl)-methyl-amino]ethoxy]-2-oxidanyl-pentyl] 4-pyren-1-ylbutanoate Openeye Name: [2-hydroxy-5-[2-(N-methyl-2,4-dinitro-anilino)ethoxy]pentyl] 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid [2-hydroxy-5-[2-(N-methyl-2,4-dinitroanilino)ethoxy]pentyl] ester IUPAC Name: [2-hydroxy-5-[2-(N-methyl-2,4-dinitroanilino)ethoxy]pentyl] 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid [2-hydroxy-5-[2-(N-methyl-2,4-dinitro-anilino)ethoxy]pentyl] ester Formula: C34H35N3O8 MolecularWeight: 613.657

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOCCCC(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(CCOCCCC(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/C34H35N3O8/c1-35(30-17-15-27(36(40)41)21-31(30)37(42)43)18-20-44-19-4-8-28(38)22-45-32(39)9-3-5-23-10-11-26-13-12-24-6-2-7-25-14-16-29(23)34(26)33(24)25/h2,6-7,10-17,21,28,38H,3-5,8-9,18-20,22H2,1H3