[1-oxidanylidene-1-(4-phenylphenyl)hexan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylphenyl)hexan-2-yl] 3-nitrobenzoate Openeye Name: 1-(4-phenylbenzoyl)pentyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-oxo-1-(4-phenylphenyl)hexan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylphenyl)hexan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 1-(4-phenylbenzoyl)pentyl ester Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H23NO5/c1-2-3-12-23(31-25(28)21-10-7-11-22(17-21)26(29)30)24(27)20-15-13-19(14-16-20)18-8-5-4-6-9-18/h4-11,13-17,23H,2-3,12H2,1H3