6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane Openeye Name: 6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane CAS Name: 6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane Traditional Name: 6-(4-nitrobenzyl)-1,4,8,11-tetrazacyclotetradecane Formula: C17H29N5O2 MolecularWeight: 335.44446

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCC(CNCCNC1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCNCC(CNCCNC1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H29N5O2/c23-22(24)17-4-2-15(3-5-17)12-16-13-20-10-8-18-6-1-7-19-9-11-21-14-16/h2-5,16,18-21H,1,6-14H2