1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: 1-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-6-oxo-3-pyridinecarboxylate IUPAC Name: 1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxylate Traditional Name: 6-keto-1-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]nicotinate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C=C(C=CC1=O)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CN1C=C(C=CC1=O)C(=O)[O-]

InChI

InChI=1S/C12H16N2O4/c1-3-8(2)13-10(15)7-14-6-9(12(17)18)4-5-11(14)16/h4-6,8H,3,7H2,1-2H3,(H,13,15)(H,17,18)/p-1/t8-/m0/s1