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

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

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

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C17H29N5O2/c23-22(24)17-5-3-16(4-6-17)15-21-13-2-9-19-11-10-18-7-1-8-20-12-14-21/h3-6,18-20H,1-2,7-15H2


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