2-[(4-nitrophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane

Systemtic Name: 2-[(4-nitrophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane Openeye Name: 2-[(4-nitrophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane CAS Name: 2-[(4-nitrophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane IUPAC Name: 2-[(4-nitrophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane Traditional Name: 2-(4-nitrobenzyl)-1,4,7,10,13,16-hexazacyclooctadecane Formula: C19H35N7O2 MolecularWeight: 393.5269

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCNC(CNCCNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCNCCNC(CNCCNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H35N7O2/c27-26(28)19-3-1-17(2-4-19)15-18-16-24-12-11-22-8-7-20-5-6-21-9-10-23-13-14-25-18/h1-4,18,20-25H,5-16H2