3-[(4-nitrophenyl)methyl]-1,2,5,8-tetrazecane

Systemtic Name: 3-[(4-nitrophenyl)methyl]-1,2,5,8-tetrazecane Openeye Name: 3-[(4-nitrophenyl)methyl]-1,2,5,8-tetrazecane CAS Name: 3-[(4-nitrophenyl)methyl]-1,2,5,8-tetrazecane IUPAC Name: 3-[(4-nitrophenyl)methyl]-1,2,5,8-tetrazecane Traditional Name: 3-(4-nitrobenzyl)-1,2,5,8-tetrazecane Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(NNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCC(NNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O2/c19-18(20)13-3-1-11(2-4-13)9-12-10-15-6-5-14-7-8-16-17-12/h1-4,12,14-17H,5-10H2