N1-(3-imidazol-1-ylpropyl)-N3-methyl-4-nitro-benzene-1,3-diamine

Systemtic Name: N1-(3-imidazol-1-ylpropyl)-N3-methyl-4-nitro-benzene-1,3-diamine Openeye Name: N1-(3-imidazol-1-ylpropyl)-N3-methyl-4-nitro-benzene-1,3-diamine CAS Name: N1-[3-(1-imidazolyl)propyl]-N3-methyl-4-nitrobenzene-1,3-diamine IUPAC Name: 1-N-(3-imidazol-1-ylpropyl)-3-N-methyl-4-nitrobenzene-1,3-diamine Traditional Name: 3-imidazol-1-ylpropyl-[3-(methylamino)-4-nitro-phenyl]amine Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N5O2/c1-14-12-9-11(3-4-13(12)18(19)20)16-5-2-7-17-8-6-15-10-17/h3-4,6,8-10,14,16H,2,5,7H2,1H3