4-nitrooxybutyl 2-[4-[(2-oxidanylidenecyclopentyl)methyl]phenyl]propanoate

Systemtic Name: 4-nitrooxybutyl 2-[4-[(2-oxidanylidenecyclopentyl)methyl]phenyl]propanoate Openeye Name: 4-nitrooxybutyl 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate CAS Name: 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate Traditional Name: 2-[4-[(2-ketocyclopentyl)methyl]phenyl]propionic acid 4-nitrooxybutyl ester Formula: C19H25NO6 MolecularWeight: 363.4049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C19H25NO6/c1-14(19(22)25-11-2-3-12-26-20(23)24)16-9-7-15(8-10-16)13-17-5-4-6-18(17)21/h7-10,14,17H,2-6,11-13H2,1H3