[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(2-methoxycarbonylanilino)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(2-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(2-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C16H16N3O5+ MolecularWeight: 330.31534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C([NH+]=CC=C2)N

InChI

InChI=1S/C16H15N3O5/c1-23-15(21)10-5-2-3-7-12(10)19-13(20)9-24-16(22)11-6-4-8-18-14(11)17/h2-8H,9H2,1H3,(H2,17,18)(H,19,20)/p+1