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

Systemtic Name: N2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,2-diamine Openeye Name: N2-[(1-tert-butyltetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]cyclohexane-1,2-diamine CAS Name: N2-[(1-tert-butyl-5-tetrazolyl)-(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,2-diamine IUPAC Name: 2-N-[(1-tert-butyltetrazol-5-yl)-(4-methoxy-3-nitrophenyl)methyl]cyclohexane-1,2-diamine Traditional Name: (2-aminocyclohexyl)-[(1-tert-butyltetrazol-5-yl)-(4-methoxy-3-nitro-phenyl)methyl]amine Formula: C19H29N7O3 MolecularWeight: 403.47866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N7O3/c1-19(2,3)25-18(22-23-24-25)17(21-14-8-6-5-7-13(14)20)12-9-10-16(29-4)15(11-12)26(27)28/h9-11,13-14,17,21H,5-8,20H2,1-4H3