3H-benzimidazol-1-ium-1-yl-(5-chloranyl-2-nitro-phenyl)methanone

Systemtic Name: 3H-benzimidazol-1-ium-1-yl-(5-chloranyl-2-nitro-phenyl)methanone Openeye Name: 3H-benzimidazol-1-ium-1-yl-(5-chloro-2-nitro-phenyl)methanone CAS Name: 3H-benzimidazol-1-ium-1-yl-(5-chloro-2-nitrophenyl)methanone IUPAC Name: 3H-benzimidazol-1-ium-1-yl-(5-chloro-2-nitrophenyl)methanone Traditional Name: 3H-benzimidazol-1-ium-1-yl-(5-chloro-2-nitro-phenyl)methanone Formula: C14H9ClN3O3+ MolecularWeight: 302.69256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H8ClN3O3/c15-9-5-6-12(18(20)21)10(7-9)14(19)17-8-16-11-3-1-2-4-13(11)17/h1-8H/p+1