N4-[(1-butyl-1,2,3,4-tetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-[(1-butyl-1,2,3,4-tetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(1-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(1-butyl-5-tetrazolyl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(1-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[(1-butyltetrazol-5-yl)-(2-nitrophenyl)methyl]amine Formula: C18H27N7O2 MolecularWeight: 373.45268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)C(C2=CC=CC=C2[N+](=O)[O-])NC3CCC(CC3)N

Isomeric SMILES

CCCCN1C(=NN=N1)C(C2=CC=CC=C2[N+](=O)[O-])NC3CCC(CC3)N

InChI

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