3,5-bis(3-imidazol-1-ylpropyl)-4-nitro-benzene-1,2-diamine

Systemtic Name: 3,5-bis(3-imidazol-1-ylpropyl)-4-nitro-benzene-1,2-diamine Openeye Name: 3,5-bis(3-imidazol-1-ylpropyl)-4-nitro-benzene-1,2-diamine CAS Name: 3,5-bis[3-(1-imidazolyl)propyl]-4-nitrobenzene-1,2-diamine IUPAC Name: 3,5-bis(3-imidazol-1-ylpropyl)-4-nitrobenzene-1,2-diamine Traditional Name: [2-amino-3,5-bis(3-imidazol-1-ylpropyl)-4-nitro-phenyl]amine Formula: C18H23N7O2 MolecularWeight: 369.42092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCC2=CC(=C(C(=C2[N+](=O)[O-])CCCN3C=CN=C3)N)N

Isomeric SMILES

C1=CN(C=N1)CCCC2=CC(=C(C(=C2[N+](=O)[O-])CCCN3C=CN=C3)N)N

InChI

InChI=1S/C18H23N7O2/c19-16-11-14(3-1-7-23-9-5-21-12-23)18(25(26)27)15(17(16)20)4-2-8-24-10-6-22-13-24/h5-6,9-13H,1-4,7-8,19-20H2