5-methyl-6-[2-(5-nitrofuran-2-yl)-3H-benzimidazol-5-yl]-1,2-diazinan-3-one

Systemtic Name: 5-methyl-6-[2-(5-nitrofuran-2-yl)-3H-benzimidazol-5-yl]-1,2-diazinan-3-one Openeye Name: 5-methyl-6-[2-(5-nitro-2-furyl)-3H-benzimidazol-5-yl]hexahydropyridazin-3-one CAS Name: 5-methyl-6-[2-(5-nitro-2-furanyl)-3H-benzimidazol-5-yl]-3-diazinanone IUPAC Name: 5-methyl-6-[2-(5-nitrofuran-2-yl)-3H-benzimidazol-5-yl]diazinan-3-one Traditional Name: 5-methyl-6-[2-(5-nitro-2-furyl)-3H-benzimidazol-5-yl]hexahydropyridazin-3-one Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NNC1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NNC1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4/c1-8-6-13(22)19-20-15(8)9-2-3-10-11(7-9)18-16(17-10)12-4-5-14(25-12)21(23)24/h2-5,7-8,15,20H,6H2,1H3,(H,17,18)(H,19,22)