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

Systemtic Name: 1-[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]pyrazole-3-carboxylic acid Openeye Name: 1-[(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl]pyrazole-3-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)N2C=CC(=N2)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)N2C=CC(=N2)C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-9(17-8-7-11(16-17)14(19)20)13(18)15-10-5-3-4-6-12(10)21-2/h3-9H,1-2H3,(H,15,18)(H,19,20)/t9-/m0/s1