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

Systemtic Name: ethyl 4-[(1E)-cycloocten-1-yl]-5-(4-methylphenyl)-4-nitro-pentanoate Openeye Name: ethyl 4-[(1E)-cycloocten-1-yl]-4-nitro-5-(p-tolyl)pentanoate CAS Name: 4-[(1E)-1-cyclooctenyl]-5-(4-methylphenyl)-4-nitropentanoic acid ethyl ester IUPAC Name: ethyl 4-[(1E)-cycloocten-1-yl]-5-(4-methylphenyl)-4-nitropentanoate Traditional Name: 4-[(1E)-cycloocten-1-yl]-4-nitro-5-(p-tolyl)valeric acid ethyl ester Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-3-27-21(24)15-16-22(23(25)26,17-19-13-11-18(2)12-14-19)20-9-7-5-4-6-8-10-20/h9,11-14H,3-8,10,15-17H2,1-2H3/b20-9+