N-(3-imidazol-1-ylpropyl)-2-nitro-benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-nitro-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-nitro-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-nitrobenzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-nitrobenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-nitro-benzamide Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3/c18-13(11-4-1-2-5-12(11)17(19)20)15-6-3-8-16-9-7-14-10-16/h1-2,4-5,7,9-10H,3,6,8H2,(H,15,18)