[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=NC=C1

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC=NC=C1

InChI

InChI=1S/C12H16N2O3/c1-3-9(2)14-11(15)8-17-12(16)10-4-6-13-7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1