1-(3-chlorophenyl)-3-(2,4-dinitropyridin-1-ium-1-yl)urea

Systemtic Name: 1-(3-chlorophenyl)-3-(2,4-dinitropyridin-1-ium-1-yl)urea Openeye Name: 1-(3-chlorophenyl)-3-(2,4-dinitropyridin-1-ium-1-yl)urea CAS Name: 1-(3-chlorophenyl)-3-(2,4-dinitro-1-pyridin-1-iumyl)urea IUPAC Name: 1-(3-chlorophenyl)-3-(2,4-dinitropyridin-1-ium-1-yl)urea Traditional Name: 1-(3-chlorophenyl)-3-(2,4-dinitropyridin-1-ium-1-yl)urea Formula: C12H9ClN5O5+ MolecularWeight: 338.68336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)N[N+]2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)N[N+]2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8ClN5O5/c13-8-2-1-3-9(6-8)14-12(19)15-16-5-4-10(17(20)21)7-11(16)18(22)23/h1-7H,(H-,14,15,19)/p+1