(4-nitrophenyl) 4-pyren-1-ylbutanoate

Systemtic Name: (4-nitrophenyl) 4-pyren-1-ylbutanoate Openeye Name: (4-nitrophenyl) 4-pyren-1-ylbutanoate CAS Name: 4-(1-pyrenyl)butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-pyren-1-ylbutanoate Traditional Name: 4-pyren-1-ylbutyric acid (4-nitrophenyl) ester Formula: C26H19NO4 MolecularWeight: 409.43336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H19NO4/c28-24(31-22-14-12-21(13-15-22)27(29)30)6-2-3-17-7-8-20-10-9-18-4-1-5-19-11-16-23(17)26(20)25(18)19/h1,4-5,7-16H,2-3,6H2