N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-nitrobenzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-nitrobenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-nitro-benzamide Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCN2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3/c18-13(11-2-4-12(5-3-11)17(19)20)15-6-1-8-16-9-7-14-10-16/h2-5,7,9-10H,1,6,8H2,(H,15,18)