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

Systemtic Name: 4-bromanyl-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide Openeye Name: 4-bromo-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide CAS Name: 4-bromo-N-[3-(1-imidazolyl)propyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-(3-imidazol-1-ylpropyl)-3-nitrobenzamide Traditional Name: 4-bromo-N-(3-imidazol-1-ylpropyl)-3-nitro-benzamide Formula: C13H13BrN4O3 MolecularWeight: 353.17132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN4O3/c14-11-3-2-10(8-12(11)18(20)21)13(19)16-4-1-6-17-7-5-15-9-17/h2-3,5,7-9H,1,4,6H2,(H,16,19)