1-[1-(4-chloranyl-3-cyclohexyl-phenyl)-2-nitro-butyl]-4-ethyl-2-methyl-benzene

Systemtic Name: 1-[1-(4-chloranyl-3-cyclohexyl-phenyl)-2-nitro-butyl]-4-ethyl-2-methyl-benzene Openeye Name: 1-[1-(4-chloro-3-cyclohexyl-phenyl)-2-nitro-butyl]-4-ethyl-2-methyl-benzene CAS Name: 1-[1-(4-chloro-3-cyclohexylphenyl)-2-nitrobutyl]-4-ethyl-2-methylbenzene IUPAC Name: 1-[1-(4-chloro-3-cyclohexylphenyl)-2-nitrobutyl]-4-ethyl-2-methylbenzene Traditional Name: 1-[1-(4-chloro-3-cyclohexyl-phenyl)-2-nitro-butyl]-4-ethyl-2-methyl-benzene Formula: C25H32ClNO2 MolecularWeight: 413.98008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C(C2=CC(=C(C=C2)Cl)C3CCCCC3)C(CC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC(=C(C=C1)C(C2=CC(=C(C=C2)Cl)C3CCCCC3)C(CC)[N+](=O)[O-])C

InChI

InChI=1S/C25H32ClNO2/c1-4-18-11-13-21(17(3)15-18)25(24(5-2)27(28)29)20-12-14-23(26)22(16-20)19-9-7-6-8-10-19/h11-16,19,24-25H,4-10H2,1-3H3