N-(3-imidazol-1-ylpropyl)-3-nitro-aniline

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-nitro-aniline Openeye Name: N-(3-imidazol-1-ylpropyl)-3-nitro-aniline CAS Name: N-[3-(1-imidazolyl)propyl]-3-nitroaniline IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-nitroaniline Traditional Name: 3-imidazol-1-ylpropyl-(3-nitrophenyl)amine Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2/c17-16(18)12-4-1-3-11(9-12)14-5-2-7-15-8-6-13-10-15/h1,3-4,6,8-10,14H,2,5,7H2