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

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

CCCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)[N+](=O)[O-])NC3CCCCC3N

Isomeric SMILES

CCCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)[N+](=O)[O-])NC3CCCCC3N

InChI

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