ethyl 4-[(1E)-cycloocten-1-yl]-4-nitro-5-phenyl-pentanoate

Systemtic Name: ethyl 4-[(1E)-cycloocten-1-yl]-4-nitro-5-phenyl-pentanoate Openeye Name: ethyl 4-[(1E)-cycloocten-1-yl]-4-nitro-5-phenyl-pentanoate CAS Name: 4-[(1E)-1-cyclooctenyl]-4-nitro-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 4-[(1E)-cycloocten-1-yl]-4-nitro-5-phenylpentanoate Traditional Name: 4-[(1E)-cycloocten-1-yl]-4-nitro-5-phenyl-valeric acid ethyl ester Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CC1=CC=CC=C1)(C2=CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(CC1=CC=CC=C1)(/C/2=C/CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C21H29NO4/c1-2-26-20(23)15-16-21(22(24)25,17-18-11-7-6-8-12-18)19-13-9-4-3-5-10-14-19/h6-8,11-13H,2-5,9-10,14-17H2,1H3/b19-13+