methyl 4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]benzoate CAS Name: 4-[[(3-nitro-4-pyridin-1-iumyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(3-nitropyridin-1-ium-4-yl)amino]methyl]benzoic acid methyl ester Formula: C14H14N3O4+ MolecularWeight: 288.27866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=C(C=[NH+]C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C=[NH+]C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c1-21-14(18)11-4-2-10(3-5-11)8-16-12-6-7-15-9-13(12)17(19)20/h2-7,9H,8H2,1H3,(H,15,16)/p+1