4,5-bis(chloranyl)-N-(3-imidazol-1-ylpropyl)-2-nitro-aniline

Systemtic Name: 4,5-bis(chloranyl)-N-(3-imidazol-1-ylpropyl)-2-nitro-aniline Openeye Name: 4,5-dichloro-N-(3-imidazol-1-ylpropyl)-2-nitro-aniline CAS Name: 4,5-dichloro-N-[3-(1-imidazolyl)propyl]-2-nitroaniline IUPAC Name: 4,5-dichloro-N-(3-imidazol-1-ylpropyl)-2-nitroaniline Traditional Name: (4,5-dichloro-2-nitro-phenyl)-(3-imidazol-1-ylpropyl)amine Formula: C12H12Cl2N4O2 MolecularWeight: 315.15528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Cl2N4O2/c13-9-6-11(12(18(19)20)7-10(9)14)16-2-1-4-17-5-3-15-8-17/h3,5-8,16H,1-2,4H2