methyl 1-[(2S)-1-ethoxy-1-oxidanylidene-butan-2-yl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[(2S)-1-ethoxy-1-oxidanylidene-butan-2-yl]pyrazole-3-carboxylate Openeye Name: methyl 1-[(1S)-1-ethoxycarbonylpropyl]pyrazole-3-carboxylate CAS Name: 1-[(2S)-1-ethoxy-1-oxobutan-2-yl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-1-ethoxy-1-oxobutan-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[(1S)-1-carbethoxypropyl]pyrazole-3-carboxylic acid methyl ester Formula: C11H16N2O4 MolecularWeight: 240.25574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C=CC(=N1)C(=O)OC

Isomeric SMILES

CC[C@@H](C(=O)OCC)N1C=CC(=N1)C(=O)OC

InChI

InChI=1S/C11H16N2O4/c1-4-9(11(15)17-5-2)13-7-6-8(12-13)10(14)16-3/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1