[2-[(4-methylphenyl)methyl]-5-oxidanylidene-1H-pyrazol-4-yl] hydrogen carbonate

Systemtic Name: [2-[(4-methylphenyl)methyl]-5-oxidanylidene-1H-pyrazol-4-yl] hydrogen carbonate Openeye Name: [5-oxo-2-(p-tolylmethyl)-1H-pyrazol-4-yl] hydrogen carbonate CAS Name: carbonic acid [2-[(4-methylphenyl)methyl]-5-oxo-1H-pyrazol-4-yl] ester IUPAC Name: [2-[(4-methylphenyl)methyl]-5-oxo-1H-pyrazol-4-yl] hydrogen carbonate Traditional Name: carbonic acid [3-keto-1-(4-methylbenzyl)-3-pyrazolin-4-yl] ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=O)N2)OC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=O)N2)OC(=O)O

InChI

InChI=1S/C12H12N2O4/c1-8-2-4-9(5-3-8)6-14-7-10(11(15)13-14)18-12(16)17/h2-5,7H,6H2,1H3,(H,13,15)(H,16,17)