6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione

Systemtic Name: 6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione Openeye Name: 6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione CAS Name: 6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione IUPAC Name: 6-[(4-nitrophenyl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione Traditional Name: 6-(4-nitrobenzyl)-1,4,8,11-tetrazacyclotetradecane-5,7-quinone Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNC(=O)C(C(=O)NCCNC1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCCNC(=O)C(C(=O)NCCNC1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c23-16-15(12-13-2-4-14(5-3-13)22(25)26)17(24)21-11-9-19-7-1-6-18-8-10-20-16/h2-5,15,18-19H,1,6-12H2,(H,20,23)(H,21,24)