methyl 4-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(1-oxidanidylpyridin-1-ium-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoate CAS Name: 4-[[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-oxidopyridin-1-ium-3-carbonyl)amino]benzoic acid methyl ester Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4/c1-20-14(18)10-4-6-12(7-5-10)15-13(17)11-3-2-8-16(19)9-11/h2-9H,1H3,(H,15,17)