[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] pyridine-4-carboxylate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=NC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=NC=C2

InChI

InChI=1S/C17H16N2O4/c1-11(20)13-3-5-15(6-4-13)19-16(21)12(2)23-17(22)14-7-9-18-10-8-14/h3-10,12H,1-2H3,(H,19,21)/t12-/m1/s1