[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H15ClN4O4/c1-22-16(10-15(21-22)12-2-4-14(19)5-3-12)20-17(24)11-27-18(25)13-6-8-23(26)9-7-13/h2-10H,11H2,1H3,(H,20,24)