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

Systemtic Name: N4-[(1-butyl-1,2,3,4-tetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-[(1-butyltetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-[(1-butyl-5-tetrazolyl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[(1-butyltetrazol-5-yl)-(3-nitrophenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[(1-butyltetrazol-5-yl)-(3-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/c1-2-3-11-24-18(21-22-23-24)17(20-15-9-7-14(19)8-10-15)13-5-4-6-16(12-13)25(26)27/h4-6,12,14-15,17,20H,2-3,7-11,19H2,1H3