phenyl 5-[(6-methylpyridin-2-yl)carbamoyl]-1H-pyrazol-2-ium-2-carboxylate

Systemtic Name: phenyl 5-[(6-methylpyridin-2-yl)carbamoyl]-1H-pyrazol-2-ium-2-carboxylate Openeye Name: phenyl 5-[(6-methyl-2-pyridyl)carbamoyl]-1H-pyrazol-2-ium-2-carboxylate CAS Name: 5-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]-1H-pyrazol-2-ium-2-carboxylic acid phenyl ester IUPAC Name: phenyl 5-[(6-methylpyridin-2-yl)carbamoyl]-1H-pyrazol-2-ium-2-carboxylate Traditional Name: 5-[(6-methyl-2-pyridyl)carbamoyl]-1H-pyrazol-2-ium-2-carboxylic acid phenyl ester Formula: C17H15N4O3+ MolecularWeight: 323.326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2=CC=[N+](N2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2=CC=[N+](N2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3/c1-12-6-5-9-15(18-12)19-16(22)14-10-11-21(20-14)17(23)24-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,22)/p+1