1-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl]pyrazole-4-carboxylic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)N2C=C(C=N2)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C15H17N3O4/c1-3-22-13-6-4-12(5-7-13)17-14(19)10(2)18-9-11(8-16-18)15(20)21/h4-10H,3H2,1-2H3,(H,17,19)(H,20,21)/t10-/m0/s1