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

Systemtic Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H18N4O4/c1-13-6-8-15(9-7-13)23-17(11-14(2)21-23)20-18(24)12-27-19(25)16-5-3-4-10-22(16)26/h3-11H,12H2,1-2H3,(H,20,24)