5-[3-[4-(3-cyclohexylpropoxymethyl)-2-nitro-phenyl]phenyl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[3-[4-(3-cyclohexylpropoxymethyl)-2-nitro-phenyl]phenyl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[3-[4-(3-cyclohexylpropoxymethyl)-2-nitro-phenyl]phenyl]-2H-tetrazole CAS Name: 5-[3-[4-(3-cyclohexylpropoxymethyl)-2-nitrophenyl]phenyl]-2H-tetrazole IUPAC Name: 5-[3-[4-(3-cyclohexylpropoxymethyl)-2-nitrophenyl]phenyl]-2H-tetrazole Traditional Name: 5-[3-[4-(3-cyclohexylpropoxymethyl)-2-nitro-phenyl]phenyl]-2H-tetrazole Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCOCC2=CC(=C(C=C2)C3=CC(=CC=C3)C4=NNN=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCCOCC2=CC(=C(C=C2)C3=CC(=CC=C3)C4=NNN=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3/c29-28(30)22-14-18(16-31-13-5-8-17-6-2-1-3-7-17)11-12-21(22)19-9-4-10-20(15-19)23-24-26-27-25-23/h4,9-12,14-15,17H,1-3,5-8,13,16H2,(H,24,25,26,27)