(6-methylpyridin-1-ium-3-yl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (6-methylpyridin-1-ium-3-yl) 4-chloranyl-3-nitro-benzoate Openeye Name: (6-methylpyridin-1-ium-3-yl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (6-methyl-3-pyridin-1-iumyl) ester IUPAC Name: (6-methylpyridin-1-ium-3-yl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (6-methylpyridin-1-ium-3-yl) ester Formula: C13H10ClN2O4+ MolecularWeight: 293.6825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=[NH+]C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN2O4/c1-8-2-4-10(7-15-8)20-13(17)9-3-5-11(14)12(6-9)16(18)19/h2-7H,1H3/p+1