N-(cyclohexylmethyl)-5-(imidazol-1-ylmethyl)-2-nitro-aniline

Systemtic Name: N-(cyclohexylmethyl)-5-(imidazol-1-ylmethyl)-2-nitro-aniline Openeye Name: N-(cyclohexylmethyl)-5-(imidazol-1-ylmethyl)-2-nitro-aniline CAS Name: N-(cyclohexylmethyl)-5-(1-imidazolylmethyl)-2-nitroaniline IUPAC Name: N-(cyclohexylmethyl)-5-(imidazol-1-ylmethyl)-2-nitroaniline Traditional Name: cyclohexylmethyl-[5-(imidazol-1-ylmethyl)-2-nitro-phenyl]amine Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=C(C=CC(=C2)CN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC2=C(C=CC(=C2)CN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O2/c22-21(23)17-7-6-15(12-20-9-8-18-13-20)10-16(17)19-11-14-4-2-1-3-5-14/h6-10,13-14,19H,1-5,11-12H2