1-butyl-4-[1-(4-ethoxyphenyl)-2-nitro-butyl]benzene

Systemtic Name: 1-butyl-4-[1-(4-ethoxyphenyl)-2-nitro-butyl]benzene Openeye Name: 1-butyl-4-[1-(4-ethoxyphenyl)-2-nitro-butyl]benzene CAS Name: 1-butyl-4-[1-(4-ethoxyphenyl)-2-nitrobutyl]benzene IUPAC Name: 1-butyl-4-[1-(4-ethoxyphenyl)-2-nitrobutyl]benzene Traditional Name: 1-butyl-4-(2-nitro-1-p-phenetyl-butyl)benzene Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(CC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)C(CC)[N+](=O)[O-]

InChI

InChI=1S/C22H29NO3/c1-4-7-8-17-9-11-18(12-10-17)22(21(5-2)23(24)25)19-13-15-20(16-14-19)26-6-3/h9-16,21-22H,4-8H2,1-3H3