4-nitrooxybutyl 2-[4-(phenylcarbonyl)phenyl]propanoate

Systemtic Name: 4-nitrooxybutyl 2-[4-(phenylcarbonyl)phenyl]propanoate Openeye Name: 4-nitrooxybutyl 2-(4-benzoylphenyl)propanoate CAS Name: 2-(4-benzoylphenyl)propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-(4-benzoylphenyl)propanoate Traditional Name: 2-(4-benzoylphenyl)propionic acid 4-nitrooxybutyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-15(20(23)26-13-5-6-14-27-21(24)25)16-9-11-18(12-10-16)19(22)17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3