N-[1-imidazol-1-yl-4-(3-nitropyridin-2-yl)oxy-butan-2-yl]-4-iodanyl-benzamide

Systemtic Name: N-[1-imidazol-1-yl-4-(3-nitropyridin-2-yl)oxy-butan-2-yl]-4-iodanyl-benzamide Openeye Name: N-[1-(imidazol-1-ylmethyl)-3-[(3-nitro-2-pyridyl)oxy]propyl]-4-iodo-benzamide CAS Name: N-[1-(1-imidazolyl)-4-[(3-nitro-2-pyridinyl)oxy]butan-2-yl]-4-iodobenzamide IUPAC Name: N-[1-imidazol-1-yl-4-(3-nitropyridin-2-yl)oxybutan-2-yl]-4-iodobenzamide Traditional Name: N-[1-(imidazol-1-ylmethyl)-3-[(3-nitro-2-pyridyl)oxy]propyl]-4-iodo-benzamide Formula: C19H18IN5O4 MolecularWeight: 507.28179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)OCCC(CN2C=CN=C2)NC(=O)C3=CC=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)OCCC(CN2C=CN=C2)NC(=O)C3=CC=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C19H18IN5O4/c20-15-5-3-14(4-6-15)18(26)23-16(12-24-10-9-21-13-24)7-11-29-19-17(25(27)28)2-1-8-22-19/h1-6,8-10,13,16H,7,11-12H2,(H,23,26)