N2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,2-diamine

Systemtic Name: N2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,2-diamine Openeye Name: N2-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,2-diamine CAS Name: N2-[(1-tert-butyl-5-tetrazolyl)-(2-nitrophenyl)methyl]cyclohexane-1,2-diamine IUPAC Name: 2-N-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,2-diamine Traditional Name: (2-aminocyclohexyl)-[(1-tert-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]amine Formula: C18H27N7O2 MolecularWeight: 373.45268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2[N+](=O)[O-])NC3CCCCC3N

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2[N+](=O)[O-])NC3CCCCC3N

InChI

InChI=1S/C18H27N7O2/c1-18(2,3)24-17(21-22-23-24)16(20-14-10-6-5-9-13(14)19)12-8-4-7-11-15(12)25(26)27/h4,7-8,11,13-14,16,20H,5-6,9-10,19H2,1-3H3