4-chloranyl-N1,N3-bis(3-imidazol-1-ylpropyl)-6-nitro-benzene-1,3-diamine

Systemtic Name: 4-chloranyl-N1,N3-bis(3-imidazol-1-ylpropyl)-6-nitro-benzene-1,3-diamine Openeye Name: 4-chloro-N1,N3-bis(3-imidazol-1-ylpropyl)-6-nitro-benzene-1,3-diamine CAS Name: 4-chloro-N1,N3-bis[3-(1-imidazolyl)propyl]-6-nitrobenzene-1,3-diamine IUPAC Name: 4-chloro-1-N,3-N-bis(3-imidazol-1-ylpropyl)-6-nitrobenzene-1,3-diamine Traditional Name: [2-chloro-5-(3-imidazol-1-ylpropylamino)-4-nitro-phenyl]-(3-imidazol-1-ylpropyl)amine Formula: C18H22ClN7O2 MolecularWeight: 403.86598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)NCCCN3C=CN=C3

Isomeric SMILES

C1=CN(C=N1)CCCNC2=CC(=C(C=C2[N+](=O)[O-])Cl)NCCCN3C=CN=C3

InChI

InChI=1S/C18H22ClN7O2/c19-15-11-18(26(27)28)17(23-4-2-8-25-10-6-21-14-25)12-16(15)22-3-1-7-24-9-5-20-13-24/h5-6,9-14,22-23H,1-4,7-8H2