1-[4-(1H-imidazol-5-yl)-2-nitro-phenyl]azepane

Systemtic Name: 1-[4-(1H-imidazol-5-yl)-2-nitro-phenyl]azepane Openeye Name: 1-[4-(1H-imidazol-5-yl)-2-nitro-phenyl]azepane CAS Name: 1-[4-(1H-imidazol-5-yl)-2-nitrophenyl]azepane IUPAC Name: 1-[4-(1H-imidazol-5-yl)-2-nitrophenyl]azepane Traditional Name: 1-[4-(1H-imidazol-5-yl)-2-nitro-phenyl]azepane Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CN=CN3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=CN=CN3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2/c20-19(21)15-9-12(13-10-16-11-17-13)5-6-14(15)18-7-3-1-2-4-8-18/h5-6,9-11H,1-4,7-8H2,(H,16,17)