1-[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl]pyrazole-3-carboxylic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)N2C=CC(=N2)C(=O)O

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-3-17(12-7-5-4-6-8-12)14(19)11(2)18-10-9-13(16-18)15(20)21/h4-11H,3H2,1-2H3,(H,20,21)/t11-/m0/s1